N-[4-[3-(4-methylphenyl)prop-2-enyl]phenyl]-N-phenylbiphenylen-1-amine

C34H27N — CID 173264270

IUPACN-[4-[3-(4-methylphenyl)prop-2-enyl]phenyl]-N-phenylbiphenylen-1-amine
SMILESCc1ccc(C=CCc2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3-4)cc2)cc1
InChIInChI=1S/C34H27N/c1-25-17-19-26(20-18-25)9-7-10-27-21-23-29(24-22-27)35(28-11-3-2-4-12-28)33-16-8-15-32-30-13-5-6-14-31(30)34(32)33/h2-9,11-24H,10H2,1H3
InChIKeyQKQHMDAXMXRGIV-UHFFFAOYSA-N
MW449.60 g/mol
LogP9.37
Rot. Bonds6

About N-[4-[3-(4-methylphenyl)prop-2-enyl]phenyl]-N-phenylbiphenylen-1-amine

N-[4-[3-(4-methylphenyl)prop-2-enyl]phenyl]-N-phenylbiphenylen-1-amine (PubChem CID 173264270) has the molecular formula C34H27N and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[4-[3-(4-methylphenyl)prop-2-enyl]phenyl]-N-phenylbiphenylen-1-amine.

Molecular Properties

Compound NameN-[4-[3-(4-methylphenyl)prop-2-enyl]phenyl]-N-phenylbiphenylen-1-amine
PubChem CID173264270
Molecular FormulaC34H27N
Molecular Weight449.60 g/mol
Exact Mass449.21
IUPAC NameN-[4-[3-(4-methylphenyl)prop-2-enyl]phenyl]-N-phenylbiphenylen-1-amine
SMILESCc1ccc(C=CCc2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3-4)cc2)cc1
InChIInChI=1S/C34H27N/c1-25-17-19-26(20-18-25)9-7-10-27-21-23-29(24-22-27)35(28-11-3-2-4-12-28)33-16-8-15-32-30-13-5-6-14-31(30)34(32)33/h2-9,11-24H,10H2,1H3
InChIKeyQKQHMDAXMXRGIV-UHFFFAOYSA-N
XLogP9.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-[3-(4-methylphenyl)prop-2-enyl]phenyl]-N-phenylbiphenylen-1-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

1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene
CID 144681083
1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 57014640
1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene
CID 161223242
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
ethane;4-ethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 91530733
N-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 177096983
N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine
CID 90896917
N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;4-methyl-N-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline;N-[4-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
CID 161488206
N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline
CID 10728588
1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 58664971
1-N,1-N-bis(4-methylphenyl)-2-N,2-N,3-triphenylbenzene-1,2-diamine
CID 141120368
N-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline
CID 162082403

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-methylphenyl)prop-2-enyl]phenyl]-N-phenylbiphenylen-1-amine?
The IUPAC name of N-[4-[3-(4-methylphenyl)prop-2-enyl]phenyl]-N-phenylbiphenylen-1-amine (CID 173264270) is N-[4-[3-(4-methylphenyl)prop-2-enyl]phenyl]-N-phenylbiphenylen-1-amine.
What is the SMILES notation for N-[4-[3-(4-methylphenyl)prop-2-enyl]phenyl]-N-phenylbiphenylen-1-amine?
The canonical SMILES for N-[4-[3-(4-methylphenyl)prop-2-enyl]phenyl]-N-phenylbiphenylen-1-amine is Cc1ccc(C=CCc2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-[4-[3-(4-methylphenyl)prop-2-enyl]phenyl]-N-phenylbiphenylen-1-amine?
The InChIKey is QKQHMDAXMXRGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N/c1-25-17-19-26(20-18-25)9-7-10-27-21-23-29(24-22-27)35(28-11-3-2-4-12-28)33-16-8-15-32-30-13-5-6-14-31(30)34(32)33/h2-9,11-24H,10H2,1H3.
What are the key properties of N-[4-[3-(4-methylphenyl)prop-2-enyl]phenyl]-N-phenylbiphenylen-1-amine?
N-[4-[3-(4-methylphenyl)prop-2-enyl]phenyl]-N-phenylbiphenylen-1-amine has a molecular weight of 449.60 g/mol, XLogP of 9.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-methylphenyl)prop-2-enyl]phenyl]-N-phenylbiphenylen-1-amine is sourced from PubChem (CID 173264270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).