N-(4-carbazol-9-ylphenyl)-N-phenyl-1-(2-phenylphenyl)anthracen-2-amine

C50H34N2 — CID 121282949

IUPACN-(4-carbazol-9-ylphenyl)-N-phenyl-1-(2-phenylphenyl)anthracen-2-amine
SMILESc1ccc(-c2ccccc2-c2c(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C50H34N2/c1-3-15-35(16-4-1)42-21-9-10-24-45(42)50-46-34-37-18-8-7-17-36(37)33-38(46)27-32-49(50)51(39-19-5-2-6-20-39)40-28-30-41(31-29-40)52-47-25-13-11-22-43(47)44-23-12-14-26-48(44)52/h1-34H
InChIKeyQIGFWIICHGGWDO-UHFFFAOYSA-N
MW662.84 g/mol
LogP13.89
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-N-phenyl-1-(2-phenylphenyl)anthracen-2-amine

N-(4-carbazol-9-ylphenyl)-N-phenyl-1-(2-phenylphenyl)anthracen-2-amine (PubChem CID 121282949) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-phenyl-1-(2-phenylphenyl)anthracen-2-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-phenyl-1-(2-phenylphenyl)anthracen-2-amine
PubChem CID121282949
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-phenyl-1-(2-phenylphenyl)anthracen-2-amine
SMILESc1ccc(-c2ccccc2-c2c(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C50H34N2/c1-3-15-35(16-4-1)42-21-9-10-24-45(42)50-46-34-37-18-8-7-17-36(37)33-38(46)27-32-49(50)51(39-19-5-2-6-20-39)40-28-30-41(31-29-40)52-47-25-13-11-22-43(47)44-23-12-14-26-48(44)52/h1-34H
InChIKeyQIGFWIICHGGWDO-UHFFFAOYSA-N
XLogP13.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-carbazol-9-ylphenyl)-N-phenyl-1-(2-phenylphenyl)anthracen-2-amine 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

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788793
N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789636
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790793
N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790997
N-(4-carbazol-9-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 168790189
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168789420
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168790792
N-(4-carbazol-9-ylphenyl)-2-phenanthren-9-yl-N,3-bis(4-phenylphenyl)aniline
CID 177274974
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168788660
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 134380685
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502154
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)naphthalen-1-amine
CID 146580920

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenyl-1-(2-phenylphenyl)anthracen-2-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenyl-1-(2-phenylphenyl)anthracen-2-amine (CID 121282949) is N-(4-carbazol-9-ylphenyl)-N-phenyl-1-(2-phenylphenyl)anthracen-2-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-phenyl-1-(2-phenylphenyl)anthracen-2-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-phenyl-1-(2-phenylphenyl)anthracen-2-amine is c1ccc(-c2ccccc2-c2c(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc3cc4ccccc4cc23)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-phenyl-1-(2-phenylphenyl)anthracen-2-amine?
The InChIKey is QIGFWIICHGGWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-3-15-35(16-4-1)42-21-9-10-24-45(42)50-46-34-37-18-8-7-17-36(37)33-38(46)27-32-49(50)51(39-19-5-2-6-20-39)40-28-30-41(31-29-40)52-47-25-13-11-22-43(47)44-23-12-14-26-48(44)52/h1-34H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-phenyl-1-(2-phenylphenyl)anthracen-2-amine?
N-(4-carbazol-9-ylphenyl)-N-phenyl-1-(2-phenylphenyl)anthracen-2-amine has a molecular weight of 662.84 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-phenyl-1-(2-phenylphenyl)anthracen-2-amine is sourced from PubChem (CID 121282949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).