1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine

C46H40N2 — CID 59470459

IUPAC1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C)c(C)c3)cc2)cc1C
InChIInChI=1S/C46H40N2/c1-33-15-21-45(31-35(33)3)47(41-23-17-39(18-24-41)37-11-7-5-8-12-37)43-27-29-44(30-28-43)48(46-22-16-34(2)36(4)32-46)42-25-19-40(20-26-42)38-13-9-6-10-14-38/h5-32H,1-4H3
InChIKeyRWSGPUOGWIMRME-UHFFFAOYSA-N
MW620.84 g/mol
LogP13.19
Rot. Bonds8

About 1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine

1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine (PubChem CID 59470459) has the molecular formula C46H40N2 and a molecular weight of 620.84 g/mol. Its IUPAC name is 1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
PubChem CID59470459
Molecular FormulaC46H40N2
Molecular Weight620.84 g/mol
Exact Mass620.32
IUPAC Name1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C)c(C)c3)cc2)cc1C
InChIInChI=1S/C46H40N2/c1-33-15-21-45(31-35(33)3)47(41-23-17-39(18-24-41)37-11-7-5-8-12-37)43-27-29-44(30-28-43)48(46-22-16-34(2)36(4)32-46)42-25-19-40(20-26-42)38-13-9-6-10-14-38/h5-32H,1-4H3
InChIKeyRWSGPUOGWIMRME-UHFFFAOYSA-N
XLogP13.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.84
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]phenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 137434908
N-(3,4-dimethylphenyl)-16-phenyl-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032300
N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane
CID 143481987
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
N,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331
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
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine (CID 59470459) is 1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine is Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C)c(C)c3)cc2)cc1C.
What is the InChIKey of 1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine?
The InChIKey is RWSGPUOGWIMRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40N2/c1-33-15-21-45(31-35(33)3)47(41-23-17-39(18-24-41)37-11-7-5-8-12-37)43-27-29-44(30-28-43)48(46-22-16-34(2)36(4)32-46)42-25-19-40(20-26-42)38-13-9-6-10-14-38/h5-32H,1-4H3.
What are the key properties of 1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine?
1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine has a molecular weight of 620.84 g/mol, XLogP of 13.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 59470459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).