11-phenylbenzo[a]anthracene

C24H16 — CID 123665695

IUPAC11-phenylbenzo[a]anthracene
SMILESc1ccc(-c2cccc3cc4ccc5ccccc5c4cc23)cc1
InChIInChI=1S/C24H16/c1-2-7-17(8-3-1)22-12-6-10-19-15-20-14-13-18-9-4-5-11-21(18)24(20)16-23(19)22/h1-16H
InChIKeyNBCAZEIHTSEQRU-UHFFFAOYSA-N
MW304.39 g/mol
LogP6.81
Rot. Bonds1

About 11-phenylbenzo[a]anthracene

11-phenylbenzo[a]anthracene (PubChem CID 123665695) has the molecular formula C24H16 and a molecular weight of 304.39 g/mol. Its IUPAC name is 11-phenylbenzo[a]anthracene.

Molecular Properties

Compound Name11-phenylbenzo[a]anthracene
PubChem CID123665695
Molecular FormulaC24H16
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Name11-phenylbenzo[a]anthracene
SMILESc1ccc(-c2cccc3cc4ccc5ccccc5c4cc23)cc1
InChIInChI=1S/C24H16/c1-2-7-17(8-3-1)22-12-6-10-19-15-20-14-13-18-9-4-5-11-21(18)24(20)16-23(19)22/h1-16H
InChIKeyNBCAZEIHTSEQRU-UHFFFAOYSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene
CID 159785765
hydron;1-phenylanthracene
CID 174351162
11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene
CID 123226624
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 123941772
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
4-(4-benzo[a]anthracen-4-ylphenyl)benzo[a]anthracene
CID 59412541
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
1-(2-phenylphenyl)anthracene
CID 21435778
2-(4-benzo[a]anthracen-11-yl-2,3,5,6-tetradeuteriophenyl)chrysene
CID 177072053
heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
CID 21088016
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308

Frequently Asked Questions

What is the IUPAC name of 11-phenylbenzo[a]anthracene?
The IUPAC name of 11-phenylbenzo[a]anthracene (CID 123665695) is 11-phenylbenzo[a]anthracene.
What is the SMILES notation for 11-phenylbenzo[a]anthracene?
The canonical SMILES for 11-phenylbenzo[a]anthracene is c1ccc(-c2cccc3cc4ccc5ccccc5c4cc23)cc1.
What is the InChIKey of 11-phenylbenzo[a]anthracene?
The InChIKey is NBCAZEIHTSEQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16/c1-2-7-17(8-3-1)22-12-6-10-19-15-20-14-13-18-9-4-5-11-21(18)24(20)16-23(19)22/h1-16H.
What are the key properties of 11-phenylbenzo[a]anthracene?
11-phenylbenzo[a]anthracene has a molecular weight of 304.39 g/mol, XLogP of 6.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenylbenzo[a]anthracene is sourced from PubChem (CID 123665695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).