3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline

C29H29N — CID 176854873

IUPAC3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C29H29N/c1-22-13-17-26(18-14-22)30(28-12-8-11-25(21-28)29(2,3)4)27-19-15-24(16-20-27)23-9-6-5-7-10-23/h5-21H,1-4H3
InChIKeyOJGVCOPBUVYEJF-UHFFFAOYSA-N
MW391.56 g/mol
LogP8.43
Rot. Bonds4

About 3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline

3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 176854873) has the molecular formula C29H29N and a molecular weight of 391.56 g/mol. Its IUPAC name is 3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID176854873
Molecular FormulaC29H29N
Molecular Weight391.56 g/mol
Exact Mass391.23
IUPAC Name3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C29H29N/c1-22-13-17-26(18-14-22)30(28-12-8-11-25(21-28)29(2,3)4)27-19-15-24(16-20-27)23-9-6-5-7-10-23/h5-21H,1-4H3
InChIKeyOJGVCOPBUVYEJF-UHFFFAOYSA-N
XLogP8.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline (CID 176854873) is 3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline is Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc(C(C)(C)C)c2)cc1.
What is the InChIKey of 3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is OJGVCOPBUVYEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N/c1-22-13-17-26(18-14-22)30(28-12-8-11-25(21-28)29(2,3)4)27-19-15-24(16-20-27)23-9-6-5-7-10-23/h5-21H,1-4H3.
What are the key properties of 3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline?
3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 391.56 g/mol, XLogP of 8.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 176854873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).