4-[2-[4-[2-(4-anilinophenyl)propan-2-yl]phenyl]propan-2-yl]-N-phenylaniline

C36H36N2 — CID 56842545

IUPAC4-[2-[4-[2-(4-anilinophenyl)propan-2-yl]phenyl]propan-2-yl]-N-phenylaniline
SMILESCC(C)(c1ccc(Nc2ccccc2)cc1)c1ccc(C(C)(C)c2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C36H36N2/c1-35(2,29-19-23-33(24-20-29)37-31-11-7-5-8-12-31)27-15-17-28(18-16-27)36(3,4)30-21-25-34(26-22-30)38-32-13-9-6-10-14-32/h5-26,37-38H,1-4H3
InChIKeyVABQCMJQYHCYDE-UHFFFAOYSA-N
MW496.70 g/mol
LogP9.83
Rot. Bonds8

About 4-[2-[4-[2-(4-anilinophenyl)propan-2-yl]phenyl]propan-2-yl]-N-phenylaniline

4-[2-[4-[2-(4-anilinophenyl)propan-2-yl]phenyl]propan-2-yl]-N-phenylaniline (PubChem CID 56842545) has the molecular formula C36H36N2 and a molecular weight of 496.70 g/mol. Its IUPAC name is 4-[2-[4-[2-(4-anilinophenyl)propan-2-yl]phenyl]propan-2-yl]-N-phenylaniline.

Molecular Properties

Compound Name4-[2-[4-[2-(4-anilinophenyl)propan-2-yl]phenyl]propan-2-yl]-N-phenylaniline
PubChem CID56842545
Molecular FormulaC36H36N2
Molecular Weight496.70 g/mol
Exact Mass496.29
IUPAC Name4-[2-[4-[2-(4-anilinophenyl)propan-2-yl]phenyl]propan-2-yl]-N-phenylaniline
SMILESCC(C)(c1ccc(Nc2ccccc2)cc1)c1ccc(C(C)(C)c2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C36H36N2/c1-35(2,29-19-23-33(24-20-29)37-31-11-7-5-8-12-31)27-15-17-28(18-16-27)36(3,4)30-21-25-34(26-22-30)38-32-13-9-6-10-14-32/h5-26,37-38H,1-4H3
InChIKeyVABQCMJQYHCYDE-UHFFFAOYSA-N
XLogP9.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.70
LogP ≤ 59.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(4-anilinophenyl)propan-2-yl]phenyl]propan-2-yl]-N-phenylaniline?
The IUPAC name of 4-[2-[4-[2-(4-anilinophenyl)propan-2-yl]phenyl]propan-2-yl]-N-phenylaniline (CID 56842545) is 4-[2-[4-[2-(4-anilinophenyl)propan-2-yl]phenyl]propan-2-yl]-N-phenylaniline.
What is the SMILES notation for 4-[2-[4-[2-(4-anilinophenyl)propan-2-yl]phenyl]propan-2-yl]-N-phenylaniline?
The canonical SMILES for 4-[2-[4-[2-(4-anilinophenyl)propan-2-yl]phenyl]propan-2-yl]-N-phenylaniline is CC(C)(c1ccc(Nc2ccccc2)cc1)c1ccc(C(C)(C)c2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[2-(4-anilinophenyl)propan-2-yl]phenyl]propan-2-yl]-N-phenylaniline?
The InChIKey is VABQCMJQYHCYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N2/c1-35(2,29-19-23-33(24-20-29)37-31-11-7-5-8-12-31)27-15-17-28(18-16-27)36(3,4)30-21-25-34(26-22-30)38-32-13-9-6-10-14-32/h5-26,37-38H,1-4H3.
What are the key properties of 4-[2-[4-[2-(4-anilinophenyl)propan-2-yl]phenyl]propan-2-yl]-N-phenylaniline?
4-[2-[4-[2-(4-anilinophenyl)propan-2-yl]phenyl]propan-2-yl]-N-phenylaniline has a molecular weight of 496.70 g/mol, XLogP of 9.83, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(4-anilinophenyl)propan-2-yl]phenyl]propan-2-yl]-N-phenylaniline is sourced from PubChem (CID 56842545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).