3-tert-butyl-6-(2-methyl-1,1-diphenylpropyl)-9H-carbazole

C32H33N — CID 67477492

IUPAC3-tert-butyl-6-(2-methyl-1,1-diphenylpropyl)-9H-carbazole
SMILESCC(C)C(c1ccccc1)(c1ccccc1)c1ccc2[nH]c3ccc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C32H33N/c1-22(2)32(23-12-8-6-9-13-23,24-14-10-7-11-15-24)26-17-19-30-28(21-26)27-20-25(31(3,4)5)16-18-29(27)33-30/h6-22,33H,1-5H3
InChIKeyXBNWVXVOLGJDFC-UHFFFAOYSA-N
MW431.62 g/mol
LogP8.61
Rot. Bonds4

About 3-tert-butyl-6-(2-methyl-1,1-diphenylpropyl)-9H-carbazole

3-tert-butyl-6-(2-methyl-1,1-diphenylpropyl)-9H-carbazole (PubChem CID 67477492) has the molecular formula C32H33N and a molecular weight of 431.62 g/mol. Its IUPAC name is 3-tert-butyl-6-(2-methyl-1,1-diphenylpropyl)-9H-carbazole.

Molecular Properties

Compound Name3-tert-butyl-6-(2-methyl-1,1-diphenylpropyl)-9H-carbazole
PubChem CID67477492
Molecular FormulaC32H33N
Molecular Weight431.62 g/mol
Exact Mass431.26
IUPAC Name3-tert-butyl-6-(2-methyl-1,1-diphenylpropyl)-9H-carbazole
SMILESCC(C)C(c1ccccc1)(c1ccccc1)c1ccc2[nH]c3ccc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C32H33N/c1-22(2)32(23-12-8-6-9-13-23,24-14-10-7-11-15-24)26-17-19-30-28(21-26)27-20-25(31(3,4)5)16-18-29(27)33-30/h6-22,33H,1-5H3
InChIKeyXBNWVXVOLGJDFC-UHFFFAOYSA-N
XLogP8.61
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 58.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-3-propan-2-yl-1H-indole-2-carboxylic acid
CID 84637821
3-(4-tert-butylphenyl)-9H-carbazole
CID 91473096
6-tert-butyl-1,2,3,4-tetradeuterio-9H-carbazole
CID 175932907
3,6-bis(3,5-ditert-butylphenyl)-9H-carbazole
CID 137368303
6-tert-butyl-N-phenyl-N-(2-phenylphenyl)-9H-carbazol-3-amine
CID 58827483
2-tert-butyl-5,6-dihydroindeno[2,1-b]indole
CID 15082753
6-tert-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 59436669
methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene
CID 158331426
(4S)-6-tert-butyl-4-phenyl-2,3,4,9-tetrahydro-1H-carbazole
CID 164683018
2,7-ditert-butyl-9H-carbazole;hydrobromide
CID 175936620
3-tert-butyl-6-dibenzothiophen-4-yl-9H-carbazole
CID 66800641
6-tert-butyl-2-hydroxy-9H-carbazole-3-carbaldehyde
CID 71481983

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(2-methyl-1,1-diphenylpropyl)-9H-carbazole?
The IUPAC name of 3-tert-butyl-6-(2-methyl-1,1-diphenylpropyl)-9H-carbazole (CID 67477492) is 3-tert-butyl-6-(2-methyl-1,1-diphenylpropyl)-9H-carbazole.
What is the SMILES notation for 3-tert-butyl-6-(2-methyl-1,1-diphenylpropyl)-9H-carbazole?
The canonical SMILES for 3-tert-butyl-6-(2-methyl-1,1-diphenylpropyl)-9H-carbazole is CC(C)C(c1ccccc1)(c1ccccc1)c1ccc2[nH]c3ccc(C(C)(C)C)cc3c2c1.
What is the InChIKey of 3-tert-butyl-6-(2-methyl-1,1-diphenylpropyl)-9H-carbazole?
The InChIKey is XBNWVXVOLGJDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N/c1-22(2)32(23-12-8-6-9-13-23,24-14-10-7-11-15-24)26-17-19-30-28(21-26)27-20-25(31(3,4)5)16-18-29(27)33-30/h6-22,33H,1-5H3.
What are the key properties of 3-tert-butyl-6-(2-methyl-1,1-diphenylpropyl)-9H-carbazole?
3-tert-butyl-6-(2-methyl-1,1-diphenylpropyl)-9H-carbazole has a molecular weight of 431.62 g/mol, XLogP of 8.61, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(2-methyl-1,1-diphenylpropyl)-9H-carbazole is sourced from PubChem (CID 67477492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).