N-[3,4-di(propan-2-yl)phenyl]-4-methyl-N-phenyl-3-propan-2-ylaniline

C28H35N — CID 129035271

IUPACN-[3,4-di(propan-2-yl)phenyl]-4-methyl-N-phenyl-3-propan-2-ylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(C(C)C)c(C(C)C)c2)cc1C(C)C
InChIInChI=1S/C28H35N/c1-19(2)26-16-15-25(18-28(26)21(5)6)29(23-11-9-8-10-12-23)24-14-13-22(7)27(17-24)20(3)4/h8-21H,1-7H3
InChIKeyDEXOHHYIDRBPDD-UHFFFAOYSA-N
MW385.60 g/mol
LogP8.84
Rot. Bonds6

About N-[3,4-di(propan-2-yl)phenyl]-4-methyl-N-phenyl-3-propan-2-ylaniline

N-[3,4-di(propan-2-yl)phenyl]-4-methyl-N-phenyl-3-propan-2-ylaniline (PubChem CID 129035271) has the molecular formula C28H35N and a molecular weight of 385.60 g/mol. Its IUPAC name is N-[3,4-di(propan-2-yl)phenyl]-4-methyl-N-phenyl-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-[3,4-di(propan-2-yl)phenyl]-4-methyl-N-phenyl-3-propan-2-ylaniline
PubChem CID129035271
Molecular FormulaC28H35N
Molecular Weight385.60 g/mol
Exact Mass385.28
IUPAC NameN-[3,4-di(propan-2-yl)phenyl]-4-methyl-N-phenyl-3-propan-2-ylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(C(C)C)c(C(C)C)c2)cc1C(C)C
InChIInChI=1S/C28H35N/c1-19(2)26-16-15-25(18-28(26)21(5)6)29(23-11-9-8-10-12-23)24-14-13-22(7)27(17-24)20(3)4/h8-21H,1-7H3
InChIKeyDEXOHHYIDRBPDD-UHFFFAOYSA-N
XLogP8.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.60
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-N,N-diphenyl-4-propan-2-ylaniline
CID 153273893
4-methyl-1-N,3-N-diphenyl-1-N,3-N-bis[4-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 158926819
N-[4-[4-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]phenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 137434908
3-methyl-4-methylsulfanyl-N,N-diphenylaniline
CID 91304836
2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 91550926
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
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59470459
4-methyl-N,N-diphenyl-3-propylaniline
CID 141411343
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792
4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline
CID 173271590
2-methyl-1-N,3-N-bis[2-methyl-5-(N-phenylanilino)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 170274288

Frequently Asked Questions

What is the IUPAC name of N-[3,4-di(propan-2-yl)phenyl]-4-methyl-N-phenyl-3-propan-2-ylaniline?
The IUPAC name of N-[3,4-di(propan-2-yl)phenyl]-4-methyl-N-phenyl-3-propan-2-ylaniline (CID 129035271) is N-[3,4-di(propan-2-yl)phenyl]-4-methyl-N-phenyl-3-propan-2-ylaniline.
What is the SMILES notation for N-[3,4-di(propan-2-yl)phenyl]-4-methyl-N-phenyl-3-propan-2-ylaniline?
The canonical SMILES for N-[3,4-di(propan-2-yl)phenyl]-4-methyl-N-phenyl-3-propan-2-ylaniline is Cc1ccc(N(c2ccccc2)c2ccc(C(C)C)c(C(C)C)c2)cc1C(C)C.
What is the InChIKey of N-[3,4-di(propan-2-yl)phenyl]-4-methyl-N-phenyl-3-propan-2-ylaniline?
The InChIKey is DEXOHHYIDRBPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N/c1-19(2)26-16-15-25(18-28(26)21(5)6)29(23-11-9-8-10-12-23)24-14-13-22(7)27(17-24)20(3)4/h8-21H,1-7H3.
What are the key properties of N-[3,4-di(propan-2-yl)phenyl]-4-methyl-N-phenyl-3-propan-2-ylaniline?
N-[3,4-di(propan-2-yl)phenyl]-4-methyl-N-phenyl-3-propan-2-ylaniline has a molecular weight of 385.60 g/mol, XLogP of 8.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-di(propan-2-yl)phenyl]-4-methyl-N-phenyl-3-propan-2-ylaniline is sourced from PubChem (CID 129035271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).