11-cyclohex-3-en-1-yl-4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12,12a-hexadecahydro-3H-indolo[2,3-a]carbazole

C24H36N2 — CID 129085964

IUPAC11-cyclohex-3-en-1-yl-4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12,12a-hexadecahydro-3H-indolo[2,3-a]carbazole
SMILESC1=CC2NC3C(CCC4C5CCCCC5N(C5CC=CCC5)C43)C2CC1
InChIInChI=1S/C24H36N2/c1-2-8-16(9-3-1)26-22-13-7-5-11-18(22)20-15-14-19-17-10-4-6-12-21(17)25-23(19)24(20)26/h1-2,6,12,16-25H,3-5,7-11,13-15H2
InChIKeyUKZFOQLWICEMER-UHFFFAOYSA-N
MW352.57 g/mol
LogP4.67
Rot. Bonds1

About 11-cyclohex-3-en-1-yl-4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12,12a-hexadecahydro-3H-indolo[2,3-a]carbazole

11-cyclohex-3-en-1-yl-4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12,12a-hexadecahydro-3H-indolo[2,3-a]carbazole (PubChem CID 129085964) has the molecular formula C24H36N2 and a molecular weight of 352.57 g/mol. Its IUPAC name is 11-cyclohex-3-en-1-yl-4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12,12a-hexadecahydro-3H-indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-cyclohex-3-en-1-yl-4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12,12a-hexadecahydro-3H-indolo[2,3-a]carbazole
PubChem CID129085964
Molecular FormulaC24H36N2
Molecular Weight352.57 g/mol
Exact Mass352.29
IUPAC Name11-cyclohex-3-en-1-yl-4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12,12a-hexadecahydro-3H-indolo[2,3-a]carbazole
SMILESC1=CC2NC3C(CCC4C5CCCCC5N(C5CC=CCC5)C43)C2CC1
InChIInChI=1S/C24H36N2/c1-2-8-16(9-3-1)26-22-13-7-5-11-18(22)20-15-14-19-17-10-4-6-12-21(17)25-23(19)24(20)26/h1-2,6,12,16-25H,3-5,7-11,13-15H2
InChIKeyUKZFOQLWICEMER-UHFFFAOYSA-N
XLogP4.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 11-cyclohex-3-en-1-yl-4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12,12a-hexadecahydro-3H-indolo[2,3-a]carbazole with MolForge

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Related Compounds

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CID 140888636
9-[(1R)-cyclohex-2-en-1-yl]-3-(9-cyclohex-2-en-1-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
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1-cyclohex-3-en-1-ylazetidine;ethane;propane
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(4bR,6R)-6-[(8aS)-6-cyclohex-3-en-1-yl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyren-1-yl]-2,3,4,4a,4b,5,6,8a,9,9a-decahydro-1H-carbazole
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CID 163607240

Frequently Asked Questions

What is the IUPAC name of 11-cyclohex-3-en-1-yl-4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12,12a-hexadecahydro-3H-indolo[2,3-a]carbazole?
The IUPAC name of 11-cyclohex-3-en-1-yl-4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12,12a-hexadecahydro-3H-indolo[2,3-a]carbazole (CID 129085964) is 11-cyclohex-3-en-1-yl-4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12,12a-hexadecahydro-3H-indolo[2,3-a]carbazole.
What is the SMILES notation for 11-cyclohex-3-en-1-yl-4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12,12a-hexadecahydro-3H-indolo[2,3-a]carbazole?
The canonical SMILES for 11-cyclohex-3-en-1-yl-4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12,12a-hexadecahydro-3H-indolo[2,3-a]carbazole is C1=CC2NC3C(CCC4C5CCCCC5N(C5CC=CCC5)C43)C2CC1.
What is the InChIKey of 11-cyclohex-3-en-1-yl-4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12,12a-hexadecahydro-3H-indolo[2,3-a]carbazole?
The InChIKey is UKZFOQLWICEMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2/c1-2-8-16(9-3-1)26-22-13-7-5-11-18(22)20-15-14-19-17-10-4-6-12-21(17)25-23(19)24(20)26/h1-2,6,12,16-25H,3-5,7-11,13-15H2.
What are the key properties of 11-cyclohex-3-en-1-yl-4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12,12a-hexadecahydro-3H-indolo[2,3-a]carbazole?
11-cyclohex-3-en-1-yl-4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12,12a-hexadecahydro-3H-indolo[2,3-a]carbazole has a molecular weight of 352.57 g/mol, XLogP of 4.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclohex-3-en-1-yl-4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12,12a-hexadecahydro-3H-indolo[2,3-a]carbazole is sourced from PubChem (CID 129085964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).