N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline

C40H34N2 — CID 21044922

IUPACN-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline
SMILESC=Cc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C40H34N2/c1-4-32-16-22-36(23-17-32)42(40-15-9-11-31(3)29-40)38-26-20-34(21-27-38)33-18-24-37(25-19-33)41(35-12-6-5-7-13-35)39-14-8-10-30(2)28-39/h4-29H,1H2,2-3H3
InChIKeySDFBCGIQDKOYRX-UHFFFAOYSA-N
MW542.73 g/mol
LogP11.55
Rot. Bonds8

About N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline

N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline (PubChem CID 21044922) has the molecular formula C40H34N2 and a molecular weight of 542.73 g/mol. Its IUPAC name is N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline
PubChem CID21044922
Molecular FormulaC40H34N2
Molecular Weight542.73 g/mol
Exact Mass542.27
IUPAC NameN-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline
SMILESC=Cc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C40H34N2/c1-4-32-16-22-36(23-17-32)42(40-15-9-11-31(3)29-40)38-26-20-34(21-27-38)33-18-24-37(25-19-33)41(35-12-6-5-7-13-35)39-14-8-10-30(2)28-39/h4-29H,1H2,2-3H3
InChIKeySDFBCGIQDKOYRX-UHFFFAOYSA-N
XLogP11.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.73
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline
CID 69459469
3-methyl-N-(3-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 90810762
3-methyl-N-(3-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89068114
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 91343059
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
CID 89068068
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
4-ethenyl-N,N-diphenylaniline;4-ethenyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 162186031
1-ethenyl-4-methylbenzene;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;4-methyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 159810849

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline?
The IUPAC name of N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline (CID 21044922) is N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline.
What is the SMILES notation for N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline?
The canonical SMILES for N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline is C=Cc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c2cccc(C)c2)cc1.
What is the InChIKey of N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline?
The InChIKey is SDFBCGIQDKOYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N2/c1-4-32-16-22-36(23-17-32)42(40-15-9-11-31(3)29-40)38-26-20-34(21-27-38)33-18-24-37(25-19-33)41(35-12-6-5-7-13-35)39-14-8-10-30(2)28-39/h4-29H,1H2,2-3H3.
What are the key properties of N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline?
N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline has a molecular weight of 542.73 g/mol, XLogP of 11.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline is sourced from PubChem (CID 21044922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).