1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine

C34H32N2 — CID 164550748

IUPAC1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine
SMILESCC(C)(C)c1ccc(Nc2cccc(N(c3ccccc3)c3ccccc3)c2)c(-c2ccccc2)c1
InChIInChI=1S/C34H32N2/c1-34(2,3)27-22-23-33(32(24-27)26-14-7-4-8-15-26)35-28-16-13-21-31(25-28)36(29-17-9-5-10-18-29)30-19-11-6-12-20-30/h4-25,35H,1-3H3
InChIKeyIFMHTXNWAZBVCX-UHFFFAOYSA-N
MW468.64 g/mol
LogP9.86
Rot. Bonds6

About 1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine

1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine (PubChem CID 164550748) has the molecular formula C34H32N2 and a molecular weight of 468.64 g/mol. Its IUPAC name is 1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine
PubChem CID164550748
Molecular FormulaC34H32N2
Molecular Weight468.64 g/mol
Exact Mass468.26
IUPAC Name1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine
SMILESCC(C)(C)c1ccc(Nc2cccc(N(c3ccccc3)c3ccccc3)c2)c(-c2ccccc2)c1
InChIInChI=1S/C34H32N2/c1-34(2,3)27-22-23-33(32(24-27)26-14-7-4-8-15-26)35-28-16-13-21-31(25-28)36(29-17-9-5-10-18-29)30-19-11-6-12-20-30/h4-25,35H,1-3H3
InChIKeyIFMHTXNWAZBVCX-UHFFFAOYSA-N
XLogP9.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 59.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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6-bromo-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)pyridin-2-amine;4-tert-butyl-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline;2,6-dibromopyridine
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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine?
The IUPAC name of 1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine (CID 164550748) is 1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine is CC(C)(C)c1ccc(Nc2cccc(N(c3ccccc3)c3ccccc3)c2)c(-c2ccccc2)c1.
What is the InChIKey of 1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine?
The InChIKey is IFMHTXNWAZBVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2/c1-34(2,3)27-22-23-33(32(24-27)26-14-7-4-8-15-26)35-28-16-13-21-31(25-28)36(29-17-9-5-10-18-29)30-19-11-6-12-20-30/h4-25,35H,1-3H3.
What are the key properties of 1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine?
1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine has a molecular weight of 468.64 g/mol, XLogP of 9.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 164550748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).