4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile

C40H24N2 — CID 89036096

IUPAC4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5ccc(C#N)cc5)ccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C40H24N2/c41-25-27-11-15-29(16-12-27)33-20-22-36-37(23-33)39(31-7-3-1-4-8-31)35-21-19-34(30-17-13-28(26-42)14-18-30)24-38(35)40(36)32-9-5-2-6-10-32/h1-24H
InChIKeyUQEBJOLRQORVRJ-UHFFFAOYSA-N
MW532.65 g/mol
LogP10.40
Rot. Bonds4

About 4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile

4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile (PubChem CID 89036096) has the molecular formula C40H24N2 and a molecular weight of 532.65 g/mol. Its IUPAC name is 4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile
PubChem CID89036096
Molecular FormulaC40H24N2
Molecular Weight532.65 g/mol
Exact Mass532.19
IUPAC Name4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5ccc(C#N)cc5)ccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C40H24N2/c41-25-27-11-15-29(16-12-27)33-20-22-36-37(23-33)39(31-7-3-1-4-8-31)35-21-19-34(30-17-13-28(26-42)14-18-30)24-38(35)40(36)32-9-5-2-6-10-32/h1-24H
InChIKeyUQEBJOLRQORVRJ-UHFFFAOYSA-N
XLogP10.40
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.65
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(6,9,10-triphenylanthracen-2-yl)benzonitrile
CID 89026925
4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile
CID 23579757
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile
CID 155456746
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile
CID 126541941
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
4-[4-[10-(4-chlorophenyl)anthracen-9-yl]phenyl]benzonitrile
CID 169275226
4-(4-cyano-N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anilino)benzonitrile
CID 90336292
4-[6-(N-naphthalen-2-ylanilino)-10-phenyl-2-(N-phenylanilino)anthracen-9-yl]benzonitrile
CID 89061094

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile?
The IUPAC name of 4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile (CID 89036096) is 4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile.
What is the SMILES notation for 4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile?
The canonical SMILES for 4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile is N#Cc1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5ccc(C#N)cc5)ccc4c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile?
The InChIKey is UQEBJOLRQORVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2/c41-25-27-11-15-29(16-12-27)33-20-22-36-37(23-33)39(31-7-3-1-4-8-31)35-21-19-34(30-17-13-28(26-42)14-18-30)24-38(35)40(36)32-9-5-2-6-10-32/h1-24H.
What are the key properties of 4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile?
4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile has a molecular weight of 532.65 g/mol, XLogP of 10.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile is sourced from PubChem (CID 89036096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).