3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline

C34H37N — CID 142500857

IUPAC3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccccc2)cc1-c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C34H37N/c1-24-18-20-28(35(26-14-10-8-11-15-26)27-16-12-9-13-17-27)23-29(24)25-19-21-30-31(22-25)33(4,5)34(6,7)32(30,2)3/h8-23H,1-7H3
InChIKeyFYULQROWJGERKA-UHFFFAOYSA-N
MW459.68 g/mol
LogP9.73
Rot. Bonds4

About 3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline

3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline (PubChem CID 142500857) has the molecular formula C34H37N and a molecular weight of 459.68 g/mol. Its IUPAC name is 3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline.

Molecular Properties

Compound Name3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline
PubChem CID142500857
Molecular FormulaC34H37N
Molecular Weight459.68 g/mol
Exact Mass459.29
IUPAC Name3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccccc2)cc1-c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C34H37N/c1-24-18-20-28(35(26-14-10-8-11-15-26)27-16-12-9-13-17-27)23-29(24)25-19-21-30-31(22-25)33(4,5)34(6,7)32(30,2)3/h8-23H,1-7H3
InChIKeyFYULQROWJGERKA-UHFFFAOYSA-N
XLogP9.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.68
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline
CID 142500208
1-N,4-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 142500399
3-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methyl-N,N-diphenylaniline
CID 142500266
4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)-3-methyl-N,N-diphenylaniline
CID 154592716
2-N,7-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-2-N,7-N-diphenylphenanthrene-2,7-diamine
CID 142500491
N-[4-[3-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177084420
N-cyclohexa-1,5-dien-1-yl-3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N-phenylaniline
CID 142500116
N,N-bis(4-bromophenyl)-4-methyl-3-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline
CID 142500443
9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
CID 118487154
1,1,2,2,3,3-hexamethyl-N-[2-methyl-4-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylinden-5-amine
CID 145257422
N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline
CID 146251465
3-methyl-N,N-diphenyl-4-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline
CID 154592981

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline?
The IUPAC name of 3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline (CID 142500857) is 3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline.
What is the SMILES notation for 3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline?
The canonical SMILES for 3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline is Cc1ccc(N(c2ccccc2)c2ccccc2)cc1-c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C.
What is the InChIKey of 3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline?
The InChIKey is FYULQROWJGERKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N/c1-24-18-20-28(35(26-14-10-8-11-15-26)27-16-12-9-13-17-27)23-29(24)25-19-21-30-31(22-25)33(4,5)34(6,7)32(30,2)3/h8-23H,1-7H3.
What are the key properties of 3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline?
3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline has a molecular weight of 459.68 g/mol, XLogP of 9.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline is sourced from PubChem (CID 142500857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).