N-(3,4-dimethylphenyl)-N-[4-[1-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]cyclopentyl]phenyl]-3,4-dimethylaniline

C49H52N2 — CID 59575404

IUPACN-(3,4-dimethylphenyl)-N-[4-[1-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]cyclopentyl]phenyl]-3,4-dimethylaniline
SMILESCc1ccc(N(c2ccc(C3(c4ccc(N(c5ccc(C)c(C)c5)c5ccc(C)c(C)c5)cc4)CCCC3)cc2)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C49H52N2/c1-33-11-19-45(29-37(33)5)50(46-20-12-34(2)38(6)30-46)43-23-15-41(16-24-43)49(27-9-10-28-49)42-17-25-44(26-18-42)51(47-21-13-35(3)39(7)31-47)48-22-14-36(4)40(8)32-48/h11-26,29-32H,9-10,27-28H2,1-8H3
InChIKeyHONYTTHVGWFCRJ-UHFFFAOYSA-N
MW668.97 g/mol
LogP13.95
Rot. Bonds8

About N-(3,4-dimethylphenyl)-N-[4-[1-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]cyclopentyl]phenyl]-3,4-dimethylaniline

N-(3,4-dimethylphenyl)-N-[4-[1-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]cyclopentyl]phenyl]-3,4-dimethylaniline (PubChem CID 59575404) has the molecular formula C49H52N2 and a molecular weight of 668.97 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-[4-[1-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]cyclopentyl]phenyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-[4-[1-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]cyclopentyl]phenyl]-3,4-dimethylaniline
PubChem CID59575404
Molecular FormulaC49H52N2
Molecular Weight668.97 g/mol
Exact Mass668.41
IUPAC NameN-(3,4-dimethylphenyl)-N-[4-[1-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]cyclopentyl]phenyl]-3,4-dimethylaniline
SMILESCc1ccc(N(c2ccc(C3(c4ccc(N(c5ccc(C)c(C)c5)c5ccc(C)c(C)c5)cc4)CCCC3)cc2)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C49H52N2/c1-33-11-19-45(29-37(33)5)50(46-20-12-34(2)38(6)30-46)43-23-15-41(16-24-43)49(27-9-10-28-49)42-17-25-44(26-18-42)51(47-21-13-35(3)39(7)31-47)48-22-14-36(4)40(8)32-48/h11-26,29-32H,9-10,27-28H2,1-8H3
InChIKeyHONYTTHVGWFCRJ-UHFFFAOYSA-N
XLogP13.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.97
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline
CID 166506077
ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
CID 156728878
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
N-(2,6-dimethylphenyl)-N-[4-[1-[4-(N-(2,6-dimethylphenyl)-2,4,5-trimethylanilino)phenyl]cyclohexyl]phenyl]-2,4,5-trimethylaniline
CID 58471857
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
4-methyl-N-[4-[1-[4-(4-methyl-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 68590819
N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane
CID 143481987
4-[2-(3,5-dimethylphenyl)-4-methylphenyl]-N-[4-[1-[4-[4-[2-(3,5-dimethylphenyl)-4-methylphenyl]-N-[4-[2-(3,5-dimethylphenyl)-5-methylphenyl]phenyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[2-(3,5-dimethylphenyl)-5-methylphenyl]phenyl]aniline
CID 161215317
N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline
CID 22630576
N-[4-(4-methylphenyl)phenyl]-3-[1-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]-N-phenylaniline
CID 146427796
5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine
CID 168810236

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-[4-[1-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]cyclopentyl]phenyl]-3,4-dimethylaniline?
The IUPAC name of N-(3,4-dimethylphenyl)-N-[4-[1-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]cyclopentyl]phenyl]-3,4-dimethylaniline (CID 59575404) is N-(3,4-dimethylphenyl)-N-[4-[1-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]cyclopentyl]phenyl]-3,4-dimethylaniline.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-[4-[1-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]cyclopentyl]phenyl]-3,4-dimethylaniline?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-[4-[1-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]cyclopentyl]phenyl]-3,4-dimethylaniline is Cc1ccc(N(c2ccc(C3(c4ccc(N(c5ccc(C)c(C)c5)c5ccc(C)c(C)c5)cc4)CCCC3)cc2)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-[4-[1-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]cyclopentyl]phenyl]-3,4-dimethylaniline?
The InChIKey is HONYTTHVGWFCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H52N2/c1-33-11-19-45(29-37(33)5)50(46-20-12-34(2)38(6)30-46)43-23-15-41(16-24-43)49(27-9-10-28-49)42-17-25-44(26-18-42)51(47-21-13-35(3)39(7)31-47)48-22-14-36(4)40(8)32-48/h11-26,29-32H,9-10,27-28H2,1-8H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-[4-[1-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]cyclopentyl]phenyl]-3,4-dimethylaniline?
N-(3,4-dimethylphenyl)-N-[4-[1-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]cyclopentyl]phenyl]-3,4-dimethylaniline has a molecular weight of 668.97 g/mol, XLogP of 13.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-[4-[1-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]cyclopentyl]phenyl]-3,4-dimethylaniline is sourced from PubChem (CID 59575404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).