4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline

C30H31N — CID 173271590

IUPAC4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline
SMILESCC(C)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C(C)C)c1
InChIInChI=1S/C30H31N/c1-22(2)25-17-20-29(30(21-25)23(3)4)24-15-18-28(19-16-24)31(26-11-7-5-8-12-26)27-13-9-6-10-14-27/h5-23H,1-4H3
InChIKeyXYBVGAFHTLVKOM-UHFFFAOYSA-N
MW405.59 g/mol
LogP9.07
Rot. Bonds6

About 4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline

4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline (PubChem CID 173271590) has the molecular formula C30H31N and a molecular weight of 405.59 g/mol. Its IUPAC name is 4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline
PubChem CID173271590
Molecular FormulaC30H31N
Molecular Weight405.59 g/mol
Exact Mass405.25
IUPAC Name4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline
SMILESCC(C)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C(C)C)c1
InChIInChI=1S/C30H31N/c1-22(2)25-17-20-29(30(21-25)23(3)4)24-15-18-28(19-16-24)31(26-11-7-5-8-12-26)27-13-9-6-10-14-27/h5-23H,1-4H3
InChIKeyXYBVGAFHTLVKOM-UHFFFAOYSA-N
XLogP9.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene
CID 22103899
1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene
CID 173271154
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792
N,16,17-triphenyl-N-(4-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166032096
3-methyl-N-phenyl-N-[4-[4-(N-(3-propan-2-ylphenyl)anilino)phenyl]phenyl]aniline
CID 166794561
9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)-2-propan-2-ylphenyl]fluoren-2-amine
CID 123762501
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
16-phenyl-N-(3-propan-2-ylphenyl)-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 166032756
1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine
CID 22900262
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
2-N,2-N-diphenyl-1-N,1-N-bis[2-(N-phenylanilino)-4-propan-2-ylphenyl]-4-propan-2-ylbenzene-1,2-diamine
CID 58251559
N-phenyl-2-propan-2-yl-N-[4-[4-(N-(2-propan-2-ylphenyl)anilino)phenyl]phenyl]aniline
CID 19420171

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline (CID 173271590) is 4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline is CC(C)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C(C)C)c1.
What is the InChIKey of 4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline?
The InChIKey is XYBVGAFHTLVKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N/c1-22(2)25-17-20-29(30(21-25)23(3)4)24-15-18-28(19-16-24)31(26-11-7-5-8-12-26)27-13-9-6-10-14-27/h5-23H,1-4H3.
What are the key properties of 4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline?
4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline has a molecular weight of 405.59 g/mol, XLogP of 9.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 173271590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).