4-(9,9-dimethylfluoren-2-yl)-7-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole

C27H27N — CID 67819649

IUPAC4-(9,9-dimethylfluoren-2-yl)-7-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
SMILESCc1ccc2c(c1)C1CCCC1N2c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C27H27N/c1-17-11-14-26-22(15-17)21-8-6-10-25(21)28(26)18-12-13-20-19-7-4-5-9-23(19)27(2,3)24(20)16-18/h4-5,7,9,11-16,21,25H,6,8,10H2,1-3H3
InChIKeyIJZFZUQWDXRXAI-UHFFFAOYSA-N
MW365.52 g/mol
LogP7.09
Rot. Bonds1

About 4-(9,9-dimethylfluoren-2-yl)-7-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole

4-(9,9-dimethylfluoren-2-yl)-7-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole (PubChem CID 67819649) has the molecular formula C27H27N and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-7-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-7-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
PubChem CID67819649
Molecular FormulaC27H27N
Molecular Weight365.52 g/mol
Exact Mass365.21
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-7-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
SMILESCc1ccc2c(c1)C1CCCC1N2c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C27H27N/c1-17-11-14-26-22(15-17)21-8-6-10-25(21)28(26)18-12-13-20-19-7-4-5-9-23(19)27(2,3)24(20)16-18/h4-5,7,9,11-16,21,25H,6,8,10H2,1-3H3
InChIKeyIJZFZUQWDXRXAI-UHFFFAOYSA-N
XLogP7.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(9,9-dimethylfluoren-2-yl)-7-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole with MolForge

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Related Compounds

5-[[4-(9,9-dimethylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4,6-dioxocyclopenta[b]thiophene-2-carboxylic acid
CID 135215227
4-(9,9-dibutylfluoren-2-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
CID 140671960
6-methyl-3-(4-methylphenyl)-1,2,2a,7b-tetrahydrocyclobuta[b]indole
CID 91516076
7-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
CID 71231250
(2E)-2-[[5-[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-dioxoindene-5-carboxylic acid
CID 126726766
(2E)-2-[(E)-3-[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]thiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5-carboxylic acid
CID 126726791
2-[[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-5,6-dicarboxylic acid
CID 126726827
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophene-2-carbaldehyde;5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophene-2-carbaldehyde;(E)-3-[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]thiophen-2-yl]prop-2-enal
CID 157129021
2-methylnaphthalene;2,9,9-trimethylfluorene
CID 144639676
1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole
CID 59348265
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-7-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-7-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole (CID 67819649) is 4-(9,9-dimethylfluoren-2-yl)-7-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-7-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-7-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole is Cc1ccc2c(c1)C1CCCC1N2c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-7-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
The InChIKey is IJZFZUQWDXRXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N/c1-17-11-14-26-22(15-17)21-8-6-10-25(21)28(26)18-12-13-20-19-7-4-5-9-23(19)27(2,3)24(20)16-18/h4-5,7,9,11-16,21,25H,6,8,10H2,1-3H3.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-7-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
4-(9,9-dimethylfluoren-2-yl)-7-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole has a molecular weight of 365.52 g/mol, XLogP of 7.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-7-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole is sourced from PubChem (CID 67819649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).