N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine

C34H27NO — CID 20685687

IUPACN-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)cc(-c2ccccc2)c2ccccc23)cc1
InChIInChI=1S/C34H27NO/c1-24-12-14-27(15-13-24)35(28-16-19-30(36-2)20-17-28)29-18-21-31-26(22-29)23-34(25-8-4-3-5-9-25)33-11-7-6-10-32(31)33/h3-23H,1-2H3
InChIKeyXVJMGQPHVYCHMZ-UHFFFAOYSA-N
MW465.60 g/mol
LogP9.45
Rot. Bonds5

About N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine

N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine (PubChem CID 20685687) has the molecular formula C34H27NO and a molecular weight of 465.60 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine
PubChem CID20685687
Molecular FormulaC34H27NO
Molecular Weight465.60 g/mol
Exact Mass465.21
IUPAC NameN-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)cc(-c2ccccc2)c2ccccc23)cc1
InChIInChI=1S/C34H27NO/c1-24-12-14-27(15-13-24)35(28-16-19-30(36-2)20-17-28)29-18-21-31-26(22-29)23-34(25-8-4-3-5-9-25)33-11-7-6-10-32(31)33/h3-23H,1-2H3
InChIKeyXVJMGQPHVYCHMZ-UHFFFAOYSA-N
XLogP9.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-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-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308060
N-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine
CID 59282472
N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]naphthalen-2-amine
CID 166956443
N-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine
CID 155304063
6-N,16-N-bis(4-methoxyphenyl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166032295
2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754908
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;hydrate
CID 161136163
1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 122533758
1-(4-methoxyphenyl)-3,6,8-tri(phenanthren-9-yl)pyrene
CID 59391261
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine
CID 139606545
6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 101349643

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine (CID 20685687) is N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine is COc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)cc(-c2ccccc2)c2ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine?
The InChIKey is XVJMGQPHVYCHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27NO/c1-24-12-14-27(15-13-24)35(28-16-19-30(36-2)20-17-28)29-18-21-31-26(22-29)23-34(25-8-4-3-5-9-25)33-11-7-6-10-32(31)33/h3-23H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine?
N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine has a molecular weight of 465.60 g/mol, XLogP of 9.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine is sourced from PubChem (CID 20685687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).