N,N-bis(4-phenylphenyl)chrysen-2-amine

C42H29N — CID 164748030

IUPACN,N-bis(4-phenylphenyl)chrysen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5c6ccccc6ccc45)c3)cc2)cc1
InChIInChI=1S/C42H29N/c1-3-9-30(10-4-1)32-15-21-36(22-16-32)43(37-23-17-33(18-24-37)31-11-5-2-6-12-31)38-25-28-40-35(29-38)20-27-41-39-14-8-7-13-34(39)19-26-42(40)41/h1-29H
InChIKeyKRDUZTOYELFJHL-UHFFFAOYSA-N
MW547.70 g/mol
LogP11.95
Rot. Bonds5

About N,N-bis(4-phenylphenyl)chrysen-2-amine

N,N-bis(4-phenylphenyl)chrysen-2-amine (PubChem CID 164748030) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)chrysen-2-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)chrysen-2-amine
PubChem CID164748030
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC NameN,N-bis(4-phenylphenyl)chrysen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5c6ccccc6ccc45)c3)cc2)cc1
InChIInChI=1S/C42H29N/c1-3-9-30(10-4-1)32-15-21-36(22-16-32)43(37-23-17-33(18-24-37)31-11-5-2-6-12-31)38-25-28-40-35(29-38)20-27-41-39-14-8-7-13-34(39)19-26-42(40)41/h1-29H
InChIKeyKRDUZTOYELFJHL-UHFFFAOYSA-N
XLogP11.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-bis(4-phenylphenyl)chrysen-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-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
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-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
CID 167181851
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 170135838
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 59754864
2-N-naphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-phenylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N,7-N-diphenylphenanthrene-2,7-diamine
CID 59754883
2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 59754912
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-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
CID 169062386

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)chrysen-2-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)chrysen-2-amine (CID 164748030) is N,N-bis(4-phenylphenyl)chrysen-2-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)chrysen-2-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)chrysen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5c6ccccc6ccc45)c3)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)chrysen-2-amine?
The InChIKey is KRDUZTOYELFJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N/c1-3-9-30(10-4-1)32-15-21-36(22-16-32)43(37-23-17-33(18-24-37)31-11-5-2-6-12-31)38-25-28-40-35(29-38)20-27-41-39-14-8-7-13-34(39)19-26-42(40)41/h1-29H.
What are the key properties of N,N-bis(4-phenylphenyl)chrysen-2-amine?
N,N-bis(4-phenylphenyl)chrysen-2-amine has a molecular weight of 547.70 g/mol, XLogP of 11.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)chrysen-2-amine is sourced from PubChem (CID 164748030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).