4-phenyl-N-(4-phenyl-3-propan-2-ylphenyl)-3-propan-2-ylaniline

C30H31N — CID 56842555

IUPAC4-phenyl-N-(4-phenyl-3-propan-2-ylphenyl)-3-propan-2-ylaniline
SMILESCC(C)c1cc(Nc2ccc(-c3ccccc3)c(C(C)C)c2)ccc1-c1ccccc1
InChIInChI=1S/C30H31N/c1-21(2)29-19-25(15-17-27(29)23-11-7-5-8-12-23)31-26-16-18-28(30(20-26)22(3)4)24-13-9-6-10-14-24/h5-22,31H,1-4H3
InChIKeyBHHYCPJVICRWIC-UHFFFAOYSA-N
MW405.59 g/mol
LogP9.01
Rot. Bonds6

About 4-phenyl-N-(4-phenyl-3-propan-2-ylphenyl)-3-propan-2-ylaniline

4-phenyl-N-(4-phenyl-3-propan-2-ylphenyl)-3-propan-2-ylaniline (PubChem CID 56842555) has the molecular formula C30H31N and a molecular weight of 405.59 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenyl-3-propan-2-ylphenyl)-3-propan-2-ylaniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenyl-3-propan-2-ylphenyl)-3-propan-2-ylaniline
PubChem CID56842555
Molecular FormulaC30H31N
Molecular Weight405.59 g/mol
Exact Mass405.25
IUPAC Name4-phenyl-N-(4-phenyl-3-propan-2-ylphenyl)-3-propan-2-ylaniline
SMILESCC(C)c1cc(Nc2ccc(-c3ccccc3)c(C(C)C)c2)ccc1-c1ccccc1
InChIInChI=1S/C30H31N/c1-21(2)29-19-25(15-17-27(29)23-11-7-5-8-12-23)31-26-16-18-28(30(20-26)22(3)4)24-13-9-6-10-14-24/h5-22,31H,1-4H3
InChIKeyBHHYCPJVICRWIC-UHFFFAOYSA-N
XLogP9.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 59.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenyl-3-propan-2-ylphenyl)-3-propan-2-ylaniline?
The IUPAC name of 4-phenyl-N-(4-phenyl-3-propan-2-ylphenyl)-3-propan-2-ylaniline (CID 56842555) is 4-phenyl-N-(4-phenyl-3-propan-2-ylphenyl)-3-propan-2-ylaniline.
What is the SMILES notation for 4-phenyl-N-(4-phenyl-3-propan-2-ylphenyl)-3-propan-2-ylaniline?
The canonical SMILES for 4-phenyl-N-(4-phenyl-3-propan-2-ylphenyl)-3-propan-2-ylaniline is CC(C)c1cc(Nc2ccc(-c3ccccc3)c(C(C)C)c2)ccc1-c1ccccc1.
What is the InChIKey of 4-phenyl-N-(4-phenyl-3-propan-2-ylphenyl)-3-propan-2-ylaniline?
The InChIKey is BHHYCPJVICRWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N/c1-21(2)29-19-25(15-17-27(29)23-11-7-5-8-12-23)31-26-16-18-28(30(20-26)22(3)4)24-13-9-6-10-14-24/h5-22,31H,1-4H3.
What are the key properties of 4-phenyl-N-(4-phenyl-3-propan-2-ylphenyl)-3-propan-2-ylaniline?
4-phenyl-N-(4-phenyl-3-propan-2-ylphenyl)-3-propan-2-ylaniline has a molecular weight of 405.59 g/mol, XLogP of 9.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenyl-3-propan-2-ylphenyl)-3-propan-2-ylaniline is sourced from PubChem (CID 56842555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).