2-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-cyanophenyl)anthracen-9-yl]benzonitrile

C52H32N4 — CID 88569872

IUPAC2-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-cyanophenyl)anthracen-9-yl]benzonitrile
SMILESN#Cc1ccccc1-c1c2ccccc2c(-c2ccccc2C#N)c2cc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc12
InChIInChI=1S/C52H32N4/c53-33-35-14-4-6-18-41(35)51-45-22-8-9-23-46(45)52(42-19-7-5-15-36(42)34-54)48-32-40(30-31-47(48)51)55(37-16-2-1-3-17-37)38-26-28-39(29-27-38)56-49-24-12-10-20-43(49)44-21-11-13-25-50(44)56/h1-32H
InChIKeyPRVTYIQQMBSANY-UHFFFAOYSA-N
MW712.86 g/mol
LogP13.64
Rot. Bonds6

About 2-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-cyanophenyl)anthracen-9-yl]benzonitrile

2-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-cyanophenyl)anthracen-9-yl]benzonitrile (PubChem CID 88569872) has the molecular formula C52H32N4 and a molecular weight of 712.86 g/mol. Its IUPAC name is 2-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-cyanophenyl)anthracen-9-yl]benzonitrile.

Molecular Properties

Compound Name2-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-cyanophenyl)anthracen-9-yl]benzonitrile
PubChem CID88569872
Molecular FormulaC52H32N4
Molecular Weight712.86 g/mol
Exact Mass712.26
IUPAC Name2-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-cyanophenyl)anthracen-9-yl]benzonitrile
SMILESN#Cc1ccccc1-c1c2ccccc2c(-c2ccccc2C#N)c2cc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc12
InChIInChI=1S/C52H32N4/c53-33-35-14-4-6-18-41(35)51-45-22-8-9-23-46(45)52(42-19-7-5-15-36(42)34-54)48-32-40(30-31-47(48)51)55(37-16-2-1-3-17-37)38-26-28-39(29-27-38)56-49-24-12-10-20-43(49)44-21-11-13-25-50(44)56/h1-32H
InChIKeyPRVTYIQQMBSANY-UHFFFAOYSA-N
XLogP13.64
TPSA55.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.86
LogP ≤ 513.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[10-(2-cyanophenyl)-3-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]benzonitrile
CID 88569846
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(2-pyridin-2-ylphenyl)anthracen-2-amine
CID 59211049
2-[4-[2,6-bis(2-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,4-dicarbonitrile
CID 126734493
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile
CID 90336200
2-[4-[2,6-bis(2-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 126735099
2-[4-[3,5-bis[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]-3,5-bis(2-cyanophenyl)phenyl]benzonitrile
CID 122430970
2-[4-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]benzonitrile
CID 135252561
2-[6-[4-[4-[4-[3-(4-cyano-N-(4-cyanophenyl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]-2-(2-cyanophenyl)pyrimidin-4-yl]benzonitrile
CID 126734495
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
2-(2,6-diphenylpyrimidin-4-yl)-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 126730724

Frequently Asked Questions

What is the IUPAC name of 2-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-cyanophenyl)anthracen-9-yl]benzonitrile?
The IUPAC name of 2-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-cyanophenyl)anthracen-9-yl]benzonitrile (CID 88569872) is 2-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-cyanophenyl)anthracen-9-yl]benzonitrile.
What is the SMILES notation for 2-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-cyanophenyl)anthracen-9-yl]benzonitrile?
The canonical SMILES for 2-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-cyanophenyl)anthracen-9-yl]benzonitrile is N#Cc1ccccc1-c1c2ccccc2c(-c2ccccc2C#N)c2cc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc12.
What is the InChIKey of 2-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-cyanophenyl)anthracen-9-yl]benzonitrile?
The InChIKey is PRVTYIQQMBSANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4/c53-33-35-14-4-6-18-41(35)51-45-22-8-9-23-46(45)52(42-19-7-5-15-36(42)34-54)48-32-40(30-31-47(48)51)55(37-16-2-1-3-17-37)38-26-28-39(29-27-38)56-49-24-12-10-20-43(49)44-21-11-13-25-50(44)56/h1-32H.
What are the key properties of 2-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-cyanophenyl)anthracen-9-yl]benzonitrile?
2-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-cyanophenyl)anthracen-9-yl]benzonitrile has a molecular weight of 712.86 g/mol, XLogP of 13.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-cyanophenyl)anthracen-9-yl]benzonitrile is sourced from PubChem (CID 88569872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).