3-methyl-N,N-diphenyl-4-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline

C34H37N — CID 154592981

IUPAC3-methyl-N,N-diphenyl-4-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline
SMILES[2H]c1c([2H])c2c(c([2H])c1-c1ccc(N(c3ccccc3)c3ccccc3)cc1C)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C34H37N/c1-24-22-28(35(26-14-10-8-11-15-26)27-16-12-9-13-17-27)19-20-29(24)25-18-21-30-31(23-25)33(4,5)34(6,7)32(30,2)3/h8-23H,1-7H3/i18D,21D,23D
InChIKeyQKLOYSPUDUCLRC-JJMKVQAOSA-N
MW462.70 g/mol
LogP9.73
Rot. Bonds4

About 3-methyl-N,N-diphenyl-4-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline

3-methyl-N,N-diphenyl-4-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline (PubChem CID 154592981) has the molecular formula C34H37N and a molecular weight of 462.70 g/mol. Its IUPAC name is 3-methyl-N,N-diphenyl-4-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline.

Molecular Properties

Compound Name3-methyl-N,N-diphenyl-4-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline
PubChem CID154592981
Molecular FormulaC34H37N
Molecular Weight462.70 g/mol
Exact Mass462.31
IUPAC Name3-methyl-N,N-diphenyl-4-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline
SMILES[2H]c1c([2H])c2c(c([2H])c1-c1ccc(N(c3ccccc3)c3ccccc3)cc1C)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C34H37N/c1-24-22-28(35(26-14-10-8-11-15-26)27-16-12-9-13-17-27)19-20-29(24)25-18-21-30-31(23-25)33(4,5)34(6,7)32(30,2)3/h8-23H,1-7H3/i18D,21D,23D
InChIKeyQKLOYSPUDUCLRC-JJMKVQAOSA-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 ≤ 500462.70
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline
CID 154592918
4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)-3-methyl-N,N-diphenylaniline
CID 154592716
3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline
CID 142500857
9,9-dimethyl-N-phenyl-N-[4-[4-[2,3,5,6-tetradeuterio-4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine
CID 163994090
4-[4-[4-(4-cyanophenyl)-3-methyl-N-[3-methyl-4-[4-(N-phenylanilino)phenyl]phenyl]anilino]-2-methylphenyl]benzonitrile
CID 122435879
3-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-N,N-diphenylnaphthalen-2-amine;N,N-diphenyl-3-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-2-amine;3-[1,1,2,2,3,3-hexakis(trideuteriomethyl)inden-5-yl]-N,N-diphenylnaphthalen-2-amine
CID 158034573
N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-2,3,5,6-tetradeuteriophenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 177269906
N-[1,1,2,2,3,3-hexamethyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]inden-5-yl]-9,9-dimethyl-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine
CID 177269809
8,8,13,13-tetramethyl-5-N,5-N,16-N,16-N-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181773
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
CID 163706220

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,N-diphenyl-4-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline?
The IUPAC name of 3-methyl-N,N-diphenyl-4-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline (CID 154592981) is 3-methyl-N,N-diphenyl-4-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline.
What is the SMILES notation for 3-methyl-N,N-diphenyl-4-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline?
The canonical SMILES for 3-methyl-N,N-diphenyl-4-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline is [2H]c1c([2H])c2c(c([2H])c1-c1ccc(N(c3ccccc3)c3ccccc3)cc1C)C(C)(C)C(C)(C)C2(C)C.
What is the InChIKey of 3-methyl-N,N-diphenyl-4-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline?
The InChIKey is QKLOYSPUDUCLRC-JJMKVQAOSA-N. The full InChI is InChI=1S/C34H37N/c1-24-22-28(35(26-14-10-8-11-15-26)27-16-12-9-13-17-27)19-20-29(24)25-18-21-30-31(23-25)33(4,5)34(6,7)32(30,2)3/h8-23H,1-7H3/i18D,21D,23D.
What are the key properties of 3-methyl-N,N-diphenyl-4-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline?
3-methyl-N,N-diphenyl-4-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline has a molecular weight of 462.70 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-methyl-N,N-diphenyl-4-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline is sourced from PubChem (CID 154592981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).