fluoranthene

C32H20 — CID 139203734

IUPACfluoranthene
SMILESc1ccc2c(c1)-c1cccc3cccc-2c13.c1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/2C16H10/c2*1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h2*1-10H
InChIKeyOGTUEBCOVPUEJF-UHFFFAOYSA-N
MW404.51 g/mol
LogP8.97
Rot. Bonds

About fluoranthene

fluoranthene (PubChem CID 139203734) has the molecular formula C32H20 and a molecular weight of 404.51 g/mol. Its IUPAC name is fluoranthene.

Molecular Properties

Compound Namefluoranthene
PubChem CID139203734
Molecular FormulaC32H20
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Namefluoranthene
SMILESc1ccc2c(c1)-c1cccc3cccc-2c13.c1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/2C16H10/c2*1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h2*1-10H
InChIKeyOGTUEBCOVPUEJF-UHFFFAOYSA-N
XLogP8.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;fluoranthene;triphenylene
CID 160720447
fluoranthene;toluene
CID 173324369
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
benzo[k]fluoranthene;ethane
CID 142369852
benzo[a]phenalen-7-one;ethane
CID 90765972
anthracene;fluoranthene;9H-fluorene
CID 162240077
ethane;fluoranthene;3-methylpentane
CID 90824236
4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene
CID 173150668
1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene
CID 139892613
fluoranthen-2-amine
CID 25757
8-chlorofluoranthene
CID 15737453
acenaphthylene;fluoranthene;furan
CID 158545745

Frequently Asked Questions

What is the IUPAC name of fluoranthene?
The IUPAC name of fluoranthene (CID 139203734) is fluoranthene.
What is the SMILES notation for fluoranthene?
The canonical SMILES for fluoranthene is c1ccc2c(c1)-c1cccc3cccc-2c13.c1ccc2c(c1)-c1cccc3cccc-2c13.
What is the InChIKey of fluoranthene?
The InChIKey is OGTUEBCOVPUEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H10/c2*1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h2*1-10H.
What are the key properties of fluoranthene?
fluoranthene has a molecular weight of 404.51 g/mol, XLogP of 8.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoranthene is sourced from PubChem (CID 139203734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).