1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine

C44H44N2 — CID 22900262

IUPAC1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine
SMILESCc1ccc(N(c2ccc(C(C)C)cc2)c2cc(-c3ccccc3)cc(N(c3ccc(C)cc3)c3ccc(C(C)C)cc3)c2)cc1
InChIInChI=1S/C44H44N2/c1-31(2)35-16-24-41(25-17-35)45(39-20-12-33(5)13-21-39)43-28-38(37-10-8-7-9-11-37)29-44(30-43)46(40-22-14-34(6)15-23-40)42-26-18-36(19-27-42)32(3)4/h7-32H,1-6H3
InChIKeyHWGMJMDLBRVDOC-UHFFFAOYSA-N
MW600.85 g/mol
LogP13.16
Rot. Bonds9

About 1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine

1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine (PubChem CID 22900262) has the molecular formula C44H44N2 and a molecular weight of 600.85 g/mol. Its IUPAC name is 1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine
PubChem CID22900262
Molecular FormulaC44H44N2
Molecular Weight600.85 g/mol
Exact Mass600.35
IUPAC Name1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine
SMILESCc1ccc(N(c2ccc(C(C)C)cc2)c2cc(-c3ccccc3)cc(N(c3ccc(C)cc3)c3ccc(C(C)C)cc3)c2)cc1
InChIInChI=1S/C44H44N2/c1-31(2)35-16-24-41(25-17-35)45(39-20-12-33(5)13-21-39)43-28-38(37-10-8-7-9-11-37)29-44(30-43)46(40-22-14-34(6)15-23-40)42-26-18-36(19-27-42)32(3)4/h7-32H,1-6H3
InChIKeyHWGMJMDLBRVDOC-UHFFFAOYSA-N
XLogP13.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.85
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methylphenyl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 121295814
N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline
CID 170047291
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-tris[4-(4-methylphenyl)phenyl]benzene-1,3,5-triamine
CID 161439793
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 159992995
N-(3,5-dimethylphenyl)-16-phenyl-N-(4-propan-2-ylphenyl)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 166032850
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,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331
4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 22964147
N-[4-[4-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]phenyl]phenyl]-N,3,5-triphenylaniline;3,5-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N,3,5-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159721159

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine (CID 22900262) is 1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine is Cc1ccc(N(c2ccc(C(C)C)cc2)c2cc(-c3ccccc3)cc(N(c3ccc(C)cc3)c3ccc(C(C)C)cc3)c2)cc1.
What is the InChIKey of 1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine?
The InChIKey is HWGMJMDLBRVDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N2/c1-31(2)35-16-24-41(25-17-35)45(39-20-12-33(5)13-21-39)43-28-38(37-10-8-7-9-11-37)29-44(30-43)46(40-22-14-34(6)15-23-40)42-26-18-36(19-27-42)32(3)4/h7-32H,1-6H3.
What are the key properties of 1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine?
1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine has a molecular weight of 600.85 g/mol, XLogP of 13.16, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 22900262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).