N-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine

C38H27N — CID 76589956

IUPACN-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine
SMILESC(=Cc1ccc(N(c2ccccc2)c2cc3c4ccccc4ccc3c3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C38H27N/c1-3-11-28(12-4-1)19-20-29-21-24-32(25-22-29)39(31-14-5-2-6-15-31)38-27-37-33-16-8-7-13-30(33)23-26-35(37)34-17-9-10-18-36(34)38/h1-27H
InChIKeyMYVLENHQJWUECX-UHFFFAOYSA-N
MW497.64 g/mol
LogP10.79
Rot. Bonds5

About N-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine

N-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine (PubChem CID 76589956) has the molecular formula C38H27N and a molecular weight of 497.64 g/mol. Its IUPAC name is N-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine
PubChem CID76589956
Molecular FormulaC38H27N
Molecular Weight497.64 g/mol
Exact Mass497.21
IUPAC NameN-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine
SMILESC(=Cc1ccc(N(c2ccccc2)c2cc3c4ccccc4ccc3c3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C38H27N/c1-3-11-28(12-4-1)19-20-29-21-24-32(25-22-29)39(31-14-5-2-6-15-31)38-27-37-33-16-8-7-13-30(33)23-26-35(37)34-17-9-10-18-36(34)38/h1-27H
InChIKeyMYVLENHQJWUECX-UHFFFAOYSA-N
XLogP10.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-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-naphthalen-2-yl-N-[4-[(E)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenyl]phenanthren-9-amine
CID 89067533
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
N-[4-[2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylphenanthren-9-amine
CID 91078123
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
N-[4-[4-[2-[4-[4-[di(phenanthren-9-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine
CID 90908670
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine
CID 170410600
N-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
CID 163884704
3-[(Z)-2-phenylethenyl]chrysene
CID 14241298
N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine
CID 170135539
N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine
CID 59270592
N-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170140340
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135464

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine?
The IUPAC name of N-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine (CID 76589956) is N-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine.
What is the SMILES notation for N-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine?
The canonical SMILES for N-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine is C(=Cc1ccc(N(c2ccccc2)c2cc3c4ccccc4ccc3c3ccccc23)cc1)c1ccccc1.
What is the InChIKey of N-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine?
The InChIKey is MYVLENHQJWUECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N/c1-3-11-28(12-4-1)19-20-29-21-24-32(25-22-29)39(31-14-5-2-6-15-31)38-27-37-33-16-8-7-13-30(33)23-26-35(37)34-17-9-10-18-36(34)38/h1-27H.
What are the key properties of N-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine?
N-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine has a molecular weight of 497.64 g/mol, XLogP of 10.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine is sourced from PubChem (CID 76589956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).