9-[1-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2-methyl-1H-inden-4-yl]carbazole

C30H27N — CID 168786634

IUPAC9-[1-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2-methyl-1H-inden-4-yl]carbazole
SMILESCC1=Cc2c(cccc2-n2c3ccccc3c3ccccc32)C1C(C)(C)C1C=CC=C1
InChIInChI=1S/C30H27N/c1-20-19-25-24(29(20)30(2,3)21-11-4-5-12-21)15-10-18-28(25)31-26-16-8-6-13-22(26)23-14-7-9-17-27(23)31/h4-19,21,29H,1-3H3
InChIKeyWHFCMNQLNQZZTC-UHFFFAOYSA-N
MW401.55 g/mol
LogP8.05
Rot. Bonds3

About 9-[1-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2-methyl-1H-inden-4-yl]carbazole

9-[1-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2-methyl-1H-inden-4-yl]carbazole (PubChem CID 168786634) has the molecular formula C30H27N and a molecular weight of 401.55 g/mol. Its IUPAC name is 9-[1-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2-methyl-1H-inden-4-yl]carbazole.

Molecular Properties

Compound Name9-[1-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2-methyl-1H-inden-4-yl]carbazole
PubChem CID168786634
Molecular FormulaC30H27N
Molecular Weight401.55 g/mol
Exact Mass401.21
IUPAC Name9-[1-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2-methyl-1H-inden-4-yl]carbazole
SMILESCC1=Cc2c(cccc2-n2c3ccccc3c3ccccc32)C1C(C)(C)C1C=CC=C1
InChIInChI=1S/C30H27N/c1-20-19-25-24(29(20)30(2,3)21-11-4-5-12-21)15-10-18-28(25)31-26-16-8-6-13-22(26)23-14-7-9-17-27(23)31/h4-19,21,29H,1-3H3
InChIKeyWHFCMNQLNQZZTC-UHFFFAOYSA-N
XLogP8.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-[1-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2-methyl-1H-inden-4-yl]carbazole with MolForge

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Related Compounds

bis(4-carbazol-9-yl-2-methyl-1H-inden-1-yl)-dimethylsilane
CID 66811541
1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene
CID 22994948
9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole
CID 129145906
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
9-[2-(2,2-dimethylpropyl)phenyl]carbazole
CID 154939343
4-carbazol-9-yl-9-(2-methylphenyl)carbazole
CID 174273239
(10Z,12Z)-8-(3-carbazol-9-ylphenyl)-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne
CID 126713256
9-[2-(2-carbazol-9-yl-6-methylphenyl)sulfanylphenyl]carbazole
CID 134228715
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
9-[2-(3-methylpentan-3-yl)phenyl]carbazole
CID 143971806
9-[2-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 67374081

Frequently Asked Questions

What is the IUPAC name of 9-[1-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2-methyl-1H-inden-4-yl]carbazole?
The IUPAC name of 9-[1-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2-methyl-1H-inden-4-yl]carbazole (CID 168786634) is 9-[1-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2-methyl-1H-inden-4-yl]carbazole.
What is the SMILES notation for 9-[1-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2-methyl-1H-inden-4-yl]carbazole?
The canonical SMILES for 9-[1-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2-methyl-1H-inden-4-yl]carbazole is CC1=Cc2c(cccc2-n2c3ccccc3c3ccccc32)C1C(C)(C)C1C=CC=C1.
What is the InChIKey of 9-[1-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2-methyl-1H-inden-4-yl]carbazole?
The InChIKey is WHFCMNQLNQZZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N/c1-20-19-25-24(29(20)30(2,3)21-11-4-5-12-21)15-10-18-28(25)31-26-16-8-6-13-22(26)23-14-7-9-17-27(23)31/h4-19,21,29H,1-3H3.
What are the key properties of 9-[1-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2-methyl-1H-inden-4-yl]carbazole?
9-[1-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2-methyl-1H-inden-4-yl]carbazole has a molecular weight of 401.55 g/mol, XLogP of 8.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2-methyl-1H-inden-4-yl]carbazole is sourced from PubChem (CID 168786634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).