9-(2-tert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole

C29H27N — CID 167345523

IUPAC9-(2-tert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(Cc2cccc3c4ccccc4n(-c4ccccc4C(C)(C)C)c23)c([2H])c1[2H]
InChIInChI=1S/C29H27N/c1-29(2,3)25-17-8-10-19-27(25)30-26-18-9-7-15-23(26)24-16-11-14-22(28(24)30)20-21-12-5-4-6-13-21/h4-19H,20H2,1-3H3/i4D,5D,6D,12D,13D
InChIKeyLAOZPKSVRAMWOY-RQWUDOQSSA-N
MW394.57 g/mol
LogP7.67
Rot. Bonds3

About 9-(2-tert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole

9-(2-tert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole (PubChem CID 167345523) has the molecular formula C29H27N and a molecular weight of 394.57 g/mol. Its IUPAC name is 9-(2-tert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole.

Molecular Properties

Compound Name9-(2-tert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole
PubChem CID167345523
Molecular FormulaC29H27N
Molecular Weight394.57 g/mol
Exact Mass394.25
IUPAC Name9-(2-tert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(Cc2cccc3c4ccccc4n(-c4ccccc4C(C)(C)C)c23)c([2H])c1[2H]
InChIInChI=1S/C29H27N/c1-29(2,3)25-17-8-10-19-27(25)30-26-18-9-7-15-23(26)24-16-11-14-22(28(24)30)20-21-12-5-4-6-13-21/h4-19H,20H2,1-3H3/i4D,5D,6D,12D,13D
InChIKeyLAOZPKSVRAMWOY-RQWUDOQSSA-N
XLogP7.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.57
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-(2-tert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(2,3-ditert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole
CID 167345490
9-(2-tert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2-tert-butylphenyl)-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole
CID 163457521
9-[2-(3-methylpentan-3-yl)phenyl]carbazole
CID 143971806
9-(2,5-ditert-butylphenyl)carbazole
CID 143599034
9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-phenylcarbazole;9-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-phenylcarbazole
CID 163689607
9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;9-[2-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-phenylcarbazole;methane
CID 159595531
9-[2-(2,2-dimethylpropyl)phenyl]carbazole
CID 154939343
9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole
CID 145345322
1-(3,5-ditert-butylphenyl)-9-(2-ethylphenyl)carbazole
CID 167249351
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole
CID 170517522
9-[1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole
CID 153490596
3-tert-butyl-9-(2-tert-butylphenyl)-6-[1-(3,4-ditert-butyl-5-carbazol-9-ylphenyl)-2-methylpropan-2-yl]carbazole
CID 167289801

Frequently Asked Questions

What is the IUPAC name of 9-(2-tert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole?
The IUPAC name of 9-(2-tert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole (CID 167345523) is 9-(2-tert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole.
What is the SMILES notation for 9-(2-tert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole?
The canonical SMILES for 9-(2-tert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole is [2H]c1c([2H])c([2H])c(Cc2cccc3c4ccccc4n(-c4ccccc4C(C)(C)C)c23)c([2H])c1[2H].
What is the InChIKey of 9-(2-tert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole?
The InChIKey is LAOZPKSVRAMWOY-RQWUDOQSSA-N. The full InChI is InChI=1S/C29H27N/c1-29(2,3)25-17-8-10-19-27(25)30-26-18-9-7-15-23(26)24-16-11-14-22(28(24)30)20-21-12-5-4-6-13-21/h4-19H,20H2,1-3H3/i4D,5D,6D,12D,13D.
What are the key properties of 9-(2-tert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole?
9-(2-tert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole has a molecular weight of 394.57 g/mol, XLogP of 7.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-tert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole is sourced from PubChem (CID 167345523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).