4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenanthren-9-ylphenyl)anilino]phenyl]benzonitrile

C57H37N3 — CID 146580569

IUPAC4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenanthren-9-ylphenyl)anilino]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C57H37N3/c58-38-39-17-19-40(20-18-39)42-25-29-46(30-26-42)59(48-33-35-49(36-34-48)60-56-15-7-5-13-53(56)54-14-6-8-16-57(54)60)47-31-27-43(28-32-47)41-21-23-44(24-22-41)55-37-45-9-1-2-10-50(45)51-11-3-4-12-52(51)55/h1-37H
InChIKeyHXSDPYUIAIWDHQ-UHFFFAOYSA-N
MW763.94 g/mol
LogP15.43
Rot. Bonds7

About 4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenanthren-9-ylphenyl)anilino]phenyl]benzonitrile

4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenanthren-9-ylphenyl)anilino]phenyl]benzonitrile (PubChem CID 146580569) has the molecular formula C57H37N3 and a molecular weight of 763.94 g/mol. Its IUPAC name is 4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenanthren-9-ylphenyl)anilino]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenanthren-9-ylphenyl)anilino]phenyl]benzonitrile
PubChem CID146580569
Molecular FormulaC57H37N3
Molecular Weight763.94 g/mol
Exact Mass763.30
IUPAC Name4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenanthren-9-ylphenyl)anilino]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C57H37N3/c58-38-39-17-19-40(20-18-39)42-25-29-46(30-26-42)59(48-33-35-49(36-34-48)60-56-15-7-5-13-53(56)54-14-6-8-16-57(54)60)47-31-27-43(28-32-47)41-21-23-44(24-22-41)55-37-45-9-1-2-10-50(45)51-11-3-4-12-52(51)55/h1-37H
InChIKeyHXSDPYUIAIWDHQ-UHFFFAOYSA-N
XLogP15.43
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.94
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenanthren-9-ylphenyl)anilino]phenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline;4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 159415569
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenylnaphthalen-1-yl)anilino]phenyl]benzonitrile
CID 158321390
N-(4-carbazol-9-ylphenyl)-3-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146580585
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)naphthalen-1-amine
CID 146580920
N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine
CID 89251617
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 146578391
4-(4-cyano-N-[9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]anilino)benzonitrile
CID 126734391
9-phenyl-N-(10-phenylphenanthren-3-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 176766390
4-[4-phenyl-6-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]benzonitrile
CID 126730725
4-[3-[N-naphthalen-2-yl-4-(4-triphenylgermylphenyl)anilino]carbazol-9-yl]benzonitrile
CID 140704670
4-phenanthren-9-ylbenzonitrile
CID 89027020
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenanthren-9-ylphenyl)anilino]phenyl]benzonitrile?
The IUPAC name of 4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenanthren-9-ylphenyl)anilino]phenyl]benzonitrile (CID 146580569) is 4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenanthren-9-ylphenyl)anilino]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenanthren-9-ylphenyl)anilino]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenanthren-9-ylphenyl)anilino]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenanthren-9-ylphenyl)anilino]phenyl]benzonitrile?
The InChIKey is HXSDPYUIAIWDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3/c58-38-39-17-19-40(20-18-39)42-25-29-46(30-26-42)59(48-33-35-49(36-34-48)60-56-15-7-5-13-53(56)54-14-6-8-16-57(54)60)47-31-27-43(28-32-47)41-21-23-44(24-22-41)55-37-45-9-1-2-10-50(45)51-11-3-4-12-52(51)55/h1-37H.
What are the key properties of 4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenanthren-9-ylphenyl)anilino]phenyl]benzonitrile?
4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenanthren-9-ylphenyl)anilino]phenyl]benzonitrile has a molecular weight of 763.94 g/mol, XLogP of 15.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenanthren-9-ylphenyl)anilino]phenyl]benzonitrile is sourced from PubChem (CID 146580569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).