4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile

C39H25N — CID 23579757

IUPAC4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C39H25N/c40-26-27-17-19-29(20-18-27)30-21-23-31(24-22-30)38-34-13-4-6-15-36(34)39(37-16-7-5-14-35(37)38)33-12-8-11-32(25-33)28-9-2-1-3-10-28/h1-25H
InChIKeyZJRJXWWCCALRRX-UHFFFAOYSA-N
MW507.64 g/mol
LogP10.53
Rot. Bonds4

About 4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile

4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile (PubChem CID 23579757) has the molecular formula C39H25N and a molecular weight of 507.64 g/mol. Its IUPAC name is 4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile
PubChem CID23579757
Molecular FormulaC39H25N
Molecular Weight507.64 g/mol
Exact Mass507.20
IUPAC Name4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C39H25N/c40-26-27-17-19-29(20-18-27)30-21-23-31(24-22-30)38-34-13-4-6-15-36(34)39(37-16-7-5-14-35(37)38)33-12-8-11-32(25-33)28-9-2-1-3-10-28/h1-25H
InChIKeyZJRJXWWCCALRRX-UHFFFAOYSA-N
XLogP10.53
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile
CID 155456746
4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile
CID 89036096
4-(6,9,10-triphenylanthracen-2-yl)benzonitrile
CID 89026925
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
4-[3-[12-[3-(4-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile
CID 89036157
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-[4-[10-(4-chlorophenyl)anthracen-9-yl]phenyl]benzonitrile
CID 169275226
3-[3-(2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaen-13-yl)phenyl]benzonitrile;3-[4-(2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaen-13-yl)phenyl]benzonitrile;4-[3-(2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaen-13-yl)phenyl]benzonitrile;4-[3-[4-(2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaen-13-yl)phenyl]phenyl]benzonitrile
CID 165060318

Frequently Asked Questions

What is the IUPAC name of 4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile (CID 23579757) is 4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)cc2)cc1.
What is the InChIKey of 4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile?
The InChIKey is ZJRJXWWCCALRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N/c40-26-27-17-19-29(20-18-27)30-21-23-31(24-22-30)38-34-13-4-6-15-36(34)39(37-16-7-5-14-35(37)38)33-12-8-11-32(25-33)28-9-2-1-3-10-28/h1-25H.
What are the key properties of 4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile?
4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile has a molecular weight of 507.64 g/mol, XLogP of 10.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile is sourced from PubChem (CID 23579757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).