2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine

C54H38N2 — CID 170410338

IUPAC2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(ccc5c6cc(N(c7ccccc7)c7cccc(-c8ccccc8)c7)ccc6ccc45)c3)c2)cc1
InChIInChI=1S/C54H38N2/c1-5-15-39(16-6-1)42-19-13-25-47(35-42)55(45-21-9-3-10-22-45)49-31-34-51-44(37-49)29-33-53-52(51)32-28-41-27-30-50(38-54(41)53)56(46-23-11-4-12-24-46)48-26-14-20-43(36-48)40-17-7-2-8-18-40/h1-38H
InChIKeyXWWVAJHKSPPNKC-UHFFFAOYSA-N
MW714.91 g/mol
LogP15.42
Rot. Bonds8

About 2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine

2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine (PubChem CID 170410338) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is 2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine.

Molecular Properties

Compound Name2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine
PubChem CID170410338
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC Name2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(ccc5c6cc(N(c7ccccc7)c7cccc(-c8ccccc8)c7)ccc6ccc45)c3)c2)cc1
InChIInChI=1S/C54H38N2/c1-5-15-39(16-6-1)42-19-13-25-47(35-42)55(45-21-9-3-10-22-45)49-31-34-51-44(37-49)29-33-53-52(51)32-28-41-27-30-50(38-54(41)53)56(46-23-11-4-12-24-46)48-26-14-20-43(36-48)40-17-7-2-8-18-40/h1-38H
InChIKeyXWWVAJHKSPPNKC-UHFFFAOYSA-N
XLogP15.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine 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-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine
CID 170136248
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
1-N,9-N-diphenyl-1-N,9-N-bis(3-phenylphenyl)chrysene-1,9-diamine
CID 170410736
2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine
CID 59754872
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
2-N,7-N,7-N-triphenyl-2-N-[4-[4-(N-[7-(N-phenylanilino)phenanthren-2-yl]anilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754854
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
3-N,10-N-diphenyl-3-N,10-N-bis(3-phenylphenyl)chrysene-3,10-diamine
CID 170410575
N,N-bis(3-phenanthren-2-ylphenyl)-3-phenylaniline
CID 135299449
3-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 142614449
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062788
7-[4-(N-naphthalen-1-ylanilino)phenyl]-N,N-bis(4-phenylphenyl)phenanthren-2-amine
CID 59754893

Frequently Asked Questions

What is the IUPAC name of 2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine?
The IUPAC name of 2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine (CID 170410338) is 2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine.
What is the SMILES notation for 2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine?
The canonical SMILES for 2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(ccc5c6cc(N(c7ccccc7)c7cccc(-c8ccccc8)c7)ccc6ccc45)c3)c2)cc1.
What is the InChIKey of 2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine?
The InChIKey is XWWVAJHKSPPNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-5-15-39(16-6-1)42-19-13-25-47(35-42)55(45-21-9-3-10-22-45)49-31-34-51-44(37-49)29-33-53-52(51)32-28-41-27-30-50(38-54(41)53)56(46-23-11-4-12-24-46)48-26-14-20-43(36-48)40-17-7-2-8-18-40/h1-38H.
What are the key properties of 2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine?
2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine has a molecular weight of 714.91 g/mol, XLogP of 15.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine is sourced from PubChem (CID 170410338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).