N-(4-methylphenyl)-N-phenylphenanthren-1-amine

C27H21N — CID 140898022

IUPACN-(4-methylphenyl)-N-phenylphenanthren-1-amine
SMILESCc1ccc(N(c2ccccc2)c2cccc3c2ccc2ccccc23)cc1
InChIInChI=1S/C27H21N/c1-20-14-17-23(18-15-20)28(22-9-3-2-4-10-22)27-13-7-12-25-24-11-6-5-8-21(24)16-19-26(25)27/h2-19H,1H3
InChIKeyIPYKJLLVFTWNHV-UHFFFAOYSA-N
MW359.47 g/mol
LogP7.77
Rot. Bonds3

About N-(4-methylphenyl)-N-phenylphenanthren-1-amine

N-(4-methylphenyl)-N-phenylphenanthren-1-amine (PubChem CID 140898022) has the molecular formula C27H21N and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-phenylphenanthren-1-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-phenylphenanthren-1-amine
PubChem CID140898022
Molecular FormulaC27H21N
Molecular Weight359.47 g/mol
Exact Mass359.17
IUPAC NameN-(4-methylphenyl)-N-phenylphenanthren-1-amine
SMILESCc1ccc(N(c2ccccc2)c2cccc3c2ccc2ccccc23)cc1
InChIInChI=1S/C27H21N/c1-20-14-17-23(18-15-20)28(22-9-3-2-4-10-22)27-13-7-12-25-24-11-6-5-8-21(24)16-19-26(25)27/h2-19H,1H3
InChIKeyIPYKJLLVFTWNHV-UHFFFAOYSA-N
XLogP7.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 57.77
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

N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
N-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine
CID 140898016
N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 158140661
4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 159675140
1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 161386948
6-methyl-N-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 58876066
1-N-[4-(4-methylphenyl)phenyl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 157265115
N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 161406652
1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine
CID 20754064
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
1-N-[4-(4-methylphenyl)phenyl]-1-N,4-N-dinaphthalen-1-yl-4-N-naphthalen-2-ylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-1-N-naphthalen-1-yl-4-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-1-N,4-N,4-N-trinaphthalen-1-ylbenzene-1,4-diamine
CID 158255176
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine
CID 58612530

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-phenylphenanthren-1-amine?
The IUPAC name of N-(4-methylphenyl)-N-phenylphenanthren-1-amine (CID 140898022) is N-(4-methylphenyl)-N-phenylphenanthren-1-amine.
What is the SMILES notation for N-(4-methylphenyl)-N-phenylphenanthren-1-amine?
The canonical SMILES for N-(4-methylphenyl)-N-phenylphenanthren-1-amine is Cc1ccc(N(c2ccccc2)c2cccc3c2ccc2ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-phenylphenanthren-1-amine?
The InChIKey is IPYKJLLVFTWNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N/c1-20-14-17-23(18-15-20)28(22-9-3-2-4-10-22)27-13-7-12-25-24-11-6-5-8-21(24)16-19-26(25)27/h2-19H,1H3.
What are the key properties of N-(4-methylphenyl)-N-phenylphenanthren-1-amine?
N-(4-methylphenyl)-N-phenylphenanthren-1-amine has a molecular weight of 359.47 g/mol, XLogP of 7.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-phenylphenanthren-1-amine is sourced from PubChem (CID 140898022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).