4-N,4-N-bis[3-methyl-4-(3-methylpentan-3-yl)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine

C44H52N2 — CID 142315325

IUPAC4-N,4-N-bis[3-methyl-4-(3-methylpentan-3-yl)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESCCC(C)(CC)c1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(C(C)(CC)CC)c(C)c2)cc1C
InChIInChI=1S/C44H52N2/c1-9-43(7,10-2)41-29-27-39(31-33(41)5)46(40-28-30-42(34(6)32-40)44(8,11-3)12-4)38-25-23-37(24-26-38)45(35-19-15-13-16-20-35)36-21-17-14-18-22-36/h13-32H,9-12H2,1-8H3
InChIKeyDMJNGCFZCUVSIT-UHFFFAOYSA-N
MW608.91 g/mol
LogP13.40
Rot. Bonds12

About 4-N,4-N-bis[3-methyl-4-(3-methylpentan-3-yl)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine

4-N,4-N-bis[3-methyl-4-(3-methylpentan-3-yl)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine (PubChem CID 142315325) has the molecular formula C44H52N2 and a molecular weight of 608.91 g/mol. Its IUPAC name is 4-N,4-N-bis[3-methyl-4-(3-methylpentan-3-yl)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-bis[3-methyl-4-(3-methylpentan-3-yl)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
PubChem CID142315325
Molecular FormulaC44H52N2
Molecular Weight608.91 g/mol
Exact Mass608.41
IUPAC Name4-N,4-N-bis[3-methyl-4-(3-methylpentan-3-yl)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESCCC(C)(CC)c1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(C(C)(CC)CC)c(C)c2)cc1C
InChIInChI=1S/C44H52N2/c1-9-43(7,10-2)41-29-27-39(31-33(41)5)46(40-28-30-42(34(6)32-40)44(8,11-3)12-4)38-25-23-37(24-26-38)45(35-19-15-13-16-20-35)36-21-17-14-18-22-36/h13-32H,9-12H2,1-8H3
InChIKeyDMJNGCFZCUVSIT-UHFFFAOYSA-N
XLogP13.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.91
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-N,4-N-bis[3-methyl-4-(3-methylpentan-3-yl)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine with MolForge

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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,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline
CID 122463724
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
4-methyl-1-N,3-N-diphenyl-1-N,3-N-bis[4-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 158926819
3-methyl-4-methylsulfanyl-N,N-diphenylaniline
CID 91304836
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
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59470459
4-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 130270116
4-methyl-N,N-diphenyl-3-propylaniline
CID 141411343
4-tert-butyl-N,N-diphenylaniline
CID 11312667
1-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 130269956

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis[3-methyl-4-(3-methylpentan-3-yl)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 4-N,4-N-bis[3-methyl-4-(3-methylpentan-3-yl)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine (CID 142315325) is 4-N,4-N-bis[3-methyl-4-(3-methylpentan-3-yl)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-bis[3-methyl-4-(3-methylpentan-3-yl)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-bis[3-methyl-4-(3-methylpentan-3-yl)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine is CCC(C)(CC)c1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(C(C)(CC)CC)c(C)c2)cc1C.
What is the InChIKey of 4-N,4-N-bis[3-methyl-4-(3-methylpentan-3-yl)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
The InChIKey is DMJNGCFZCUVSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52N2/c1-9-43(7,10-2)41-29-27-39(31-33(41)5)46(40-28-30-42(34(6)32-40)44(8,11-3)12-4)38-25-23-37(24-26-38)45(35-19-15-13-16-20-35)36-21-17-14-18-22-36/h13-32H,9-12H2,1-8H3.
What are the key properties of 4-N,4-N-bis[3-methyl-4-(3-methylpentan-3-yl)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
4-N,4-N-bis[3-methyl-4-(3-methylpentan-3-yl)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine has a molecular weight of 608.91 g/mol, XLogP of 13.40, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis[3-methyl-4-(3-methylpentan-3-yl)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 142315325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).