Summary

IMPPAT Phytochemical identifier: IMPHY007335

Phytochemical name: Fluoranthene

Synonymous chemical names:
floranthene, fluoranthene

External chemical identifiers:
CID:9154, ChEMBL:CHEMBL355014, ChEBI:33083, ZINC:ZINC000008585874, FDASRS:360UOL779Z, SureChEMBL:SCHEMBL27152, MolPort-028-746-821

---

Chemical structure information

SMILES:
c1ccc2-c3c4c(-c2c1)cccc4ccc3

InChI:
InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H

InChIKey:
GVEPBJHOBDJJJI-UHFFFAOYSA-N

DeepSMILES:
cccc-ccc-c5c9))cccc6ccc%10

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)-c1cccc3cccc-2c13

Scaffold Graph/Node level:
C1CCC2C(C1)C1CCCC3CCCC2C31

Scaffold Graph level:
C1CCC2C(C1)C1CCCC3CCCC2C31

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

NP-Likeness score: -0.154

---

Chemical structure download