N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine

C48H32N2 — CID 170138552

IUPACN-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3ccc4c5ccccc5ccc4c3c2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C48H32N2/c1-3-14-33(15-4-1)39-20-9-11-23-45(39)49(37-29-26-35-28-30-40-38-19-8-7-16-34(38)27-31-41(40)44(35)32-37)47-25-13-22-43-42-21-10-12-24-46(42)50(48(43)47)36-17-5-2-6-18-36/h1-32H
InChIKeyAJMPIANWUPTVJQ-UHFFFAOYSA-N
MW636.80 g/mol
LogP13.38
Rot. Bonds5

About N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine

N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine (PubChem CID 170138552) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine.

Molecular Properties

Compound NameN-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
PubChem CID170138552
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC NameN-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3ccc4c5ccccc5ccc4c3c2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C48H32N2/c1-3-14-33(15-4-1)39-20-9-11-23-45(39)49(37-29-26-35-28-30-40-38-19-8-7-16-34(38)27-31-41(40)44(35)32-37)47-25-13-22-43-42-21-10-12-24-46(42)50(48(43)47)36-17-5-2-6-18-36/h1-32H
InChIKeyAJMPIANWUPTVJQ-UHFFFAOYSA-N
XLogP13.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-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-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 170041577
N-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167181795
N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167182149
N-benzo[c]phenanthren-5-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167184133
N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 170138786
9-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 130250239
N-(4-benzo[a]carbazol-11-ylphenyl)-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167038156
N-(3-phenanthren-1-ylphenyl)-2-(9-phenylcarbazol-3-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303126
N-phenanthren-2-yl-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-4-amine
CID 172501232
N-chrysen-6-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-1-amine
CID 170138393
9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-1-amine
CID 138728949
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 155004211

Frequently Asked Questions

What is the IUPAC name of N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
The IUPAC name of N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine (CID 170138552) is N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine.
What is the SMILES notation for N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
The canonical SMILES for N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine is c1ccc(-c2ccccc2N(c2ccc3ccc4c5ccccc5ccc4c3c2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
The InChIKey is AJMPIANWUPTVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-14-33(15-4-1)39-20-9-11-23-45(39)49(37-29-26-35-28-30-40-38-19-8-7-16-34(38)27-31-41(40)44(35)32-37)47-25-13-22-43-42-21-10-12-24-46(42)50(48(43)47)36-17-5-2-6-18-36/h1-32H.
What are the key properties of N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine has a molecular weight of 636.80 g/mol, XLogP of 13.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine is sourced from PubChem (CID 170138552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).