N-[4-(4-methylphenyl)phenyl]-3-[1-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]-N-phenylaniline

C56H50N2 — CID 146427796

IUPACN-[4-(4-methylphenyl)phenyl]-3-[1-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]-N-phenylaniline
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3cccc(C4(c5cccc(N(c6ccccc6)c6ccc(-c7ccc(C)cc7)cc6)c5)CCCCC4)c3)cc2)cc1
InChIInChI=1S/C56H50N2/c1-42-22-26-44(27-23-42)46-30-34-52(35-31-46)57(50-16-6-3-7-17-50)54-20-12-14-48(40-54)56(38-10-5-11-39-56)49-15-13-21-55(41-49)58(51-18-8-4-9-19-51)53-36-32-47(33-37-53)45-28-24-43(2)25-29-45/h3-4,6-9,12-37,40-41H,5,10-11,38-39H2,1-2H3
InChIKeyGJVPDNZEIQWKQR-UHFFFAOYSA-N
MW751.03 g/mol
LogP15.83
Rot. Bonds10

About N-[4-(4-methylphenyl)phenyl]-3-[1-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]-N-phenylaniline

N-[4-(4-methylphenyl)phenyl]-3-[1-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]-N-phenylaniline (PubChem CID 146427796) has the molecular formula C56H50N2 and a molecular weight of 751.03 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)phenyl]-3-[1-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)phenyl]-3-[1-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]-N-phenylaniline
PubChem CID146427796
Molecular FormulaC56H50N2
Molecular Weight751.03 g/mol
Exact Mass750.40
IUPAC NameN-[4-(4-methylphenyl)phenyl]-3-[1-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]-N-phenylaniline
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3cccc(C4(c5cccc(N(c6ccccc6)c6ccc(-c7ccc(C)cc7)cc6)c5)CCCCC4)c3)cc2)cc1
InChIInChI=1S/C56H50N2/c1-42-22-26-44(27-23-42)46-30-34-52(35-31-46)57(50-16-6-3-7-17-50)54-20-12-14-48(40-54)56(38-10-5-11-39-56)49-15-13-21-55(41-49)58(51-18-8-4-9-19-51)53-36-32-47(33-37-53)45-28-24-43(2)25-29-45/h3-4,6-9,12-37,40-41H,5,10-11,38-39H2,1-2H3
InChIKeyGJVPDNZEIQWKQR-UHFFFAOYSA-N
XLogP15.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.03
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline
CID 58312147
4-methyl-N,N-bis(4-methylphenyl)aniline;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
CID 87837292
3-N-[4-[1-[4-(N-[3-(diethylamino)phenyl]-4-methylanilino)phenyl]cyclohexyl]phenyl]-1-N,1-N-diethyl-3-N-(4-methylphenyl)benzene-1,3-diamine
CID 20761197
ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
CID 156728878
N,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428
1-N-(4-methylphenyl)-4-N-[4-[4-[3-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 22944759
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)phenyl]-3-[1-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]-N-phenylaniline?
The IUPAC name of N-[4-(4-methylphenyl)phenyl]-3-[1-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]-N-phenylaniline (CID 146427796) is N-[4-(4-methylphenyl)phenyl]-3-[1-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]-N-phenylaniline.
What is the SMILES notation for N-[4-(4-methylphenyl)phenyl]-3-[1-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]-N-phenylaniline?
The canonical SMILES for N-[4-(4-methylphenyl)phenyl]-3-[1-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]-N-phenylaniline is Cc1ccc(-c2ccc(N(c3ccccc3)c3cccc(C4(c5cccc(N(c6ccccc6)c6ccc(-c7ccc(C)cc7)cc6)c5)CCCCC4)c3)cc2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)phenyl]-3-[1-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]-N-phenylaniline?
The InChIKey is GJVPDNZEIQWKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50N2/c1-42-22-26-44(27-23-42)46-30-34-52(35-31-46)57(50-16-6-3-7-17-50)54-20-12-14-48(40-54)56(38-10-5-11-39-56)49-15-13-21-55(41-49)58(51-18-8-4-9-19-51)53-36-32-47(33-37-53)45-28-24-43(2)25-29-45/h3-4,6-9,12-37,40-41H,5,10-11,38-39H2,1-2H3.
What are the key properties of N-[4-(4-methylphenyl)phenyl]-3-[1-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]-N-phenylaniline?
N-[4-(4-methylphenyl)phenyl]-3-[1-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]-N-phenylaniline has a molecular weight of 751.03 g/mol, XLogP of 15.83, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)phenyl]-3-[1-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]-N-phenylaniline is sourced from PubChem (CID 146427796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).