N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine

C38H27N — CID 118369404

IUPACN-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3ccc3ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C38H27N/c1-4-13-28(14-5-1)31-24-26-38(36(27-31)29-15-6-2-7-16-29)39(32-18-8-3-9-19-32)37-22-12-21-34-33-20-11-10-17-30(33)23-25-35(34)37/h1-27H
InChIKeyUPKMSXRFXPZMMA-UHFFFAOYSA-N
MW497.64 g/mol
LogP10.80
Rot. Bonds5

About N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine

N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine (PubChem CID 118369404) has the molecular formula C38H27N and a molecular weight of 497.64 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine
PubChem CID118369404
Molecular FormulaC38H27N
Molecular Weight497.64 g/mol
Exact Mass497.21
IUPAC NameN-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3ccc3ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C38H27N/c1-4-13-28(14-5-1)31-24-26-38(36(27-31)29-15-6-2-7-16-29)39(32-18-8-3-9-19-32)37-22-12-21-34-33-20-11-10-17-30(33)23-25-35(34)37/h1-27H
InChIKeyUPKMSXRFXPZMMA-UHFFFAOYSA-N
XLogP10.80
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 ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170140942
N-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine
CID 171054294
N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
CID 170140885
4-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 170140977
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
N-(4-chrysen-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 170136320
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173
N-(4-chrysen-3-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
CID 170141031
2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167183799
4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141564
4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170142135
4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141665

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine (CID 118369404) is N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3ccc3ccccc34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine?
The InChIKey is UPKMSXRFXPZMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N/c1-4-13-28(14-5-1)31-24-26-38(36(27-31)29-15-6-2-7-16-29)39(32-18-8-3-9-19-32)37-22-12-21-34-33-20-11-10-17-30(33)23-25-35(34)37/h1-27H.
What are the key properties of N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine?
N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine has a molecular weight of 497.64 g/mol, XLogP of 10.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine is sourced from PubChem (CID 118369404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).