9-[4-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-2-yl)cyclohex-2-en-1-yl]-3-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,2,3,4,4a,5,6,7,8,9a-decahydrocarbazole

C57H88N4 — CID 159213909

About 9-[4-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-2-yl)cyclohex-2-en-1-yl]-3-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,2,3,4,4a,5,6,7,8,9a-decahydrocarbazole

9-[4-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-2-yl)cyclohex-2-en-1-yl]-3-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,2,3,4,4a,5,6,7,8,9a-decahydrocarbazole (PubChem CID 159213909) has the molecular formula C57H88N4 and a molecular weight of 829.36 g/mol. Its IUPAC name is 9-[4-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-2-yl)cyclohex-2-en-1-yl]-3-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,2,3,4,4a,5,6,7,8,9a-decahydrocarbazole.

Molecular Properties

• Compound Name: 9-[4-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-2-yl)cyclohex-2-en-1-yl]-3-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,2,3,4,4a,5,6,7,8,9a-decahydrocarbazole
• PubChem CID: 159213909
• Molecular Formula: C57H88N4
• Molecular Weight: 829.36 g/mol
• Exact Mass: 828.70
• IUPAC Name: 9-[4-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-2-yl)cyclohex-2-en-1-yl]-3-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,2,3,4,4a,5,6,7,8,9a-decahydrocarbazole
• SMILES: CC1CCC(N2C3CCCCC3C3CC(C4=CCC(C5CCC6C(C5)C5=C(CCCC5)N6C5C=CC(C6NC7CCCCC7C(C7CCCCC7)N6)CC5)C=C4)CCC32)CC1
• InChI: InChI=1S/C57H88N4/c1-37-19-29-44(30-20-37)60-52-17-9-6-13-46(52)49-35-42(27-33-54(49)60)38-21-23-39(24-22-38)43-28-34-55-50(36-43)47-14-7-10-18-53(47)61(55)45-31-25-41(26-32-45)57-58-51-16-8-5-15-48(51)56(59-57)40-11-3-2-4-12-40/h21-23,25,31,37,39-46,48-52,54-59H,2-20,24,26-30,32-36H2,1H3
• InChIKey: KQVHGGPVMHESFO-UHFFFAOYSA-N
• XLogP: 13.02
• TPSA: 30.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.36
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-2-yl)cyclohex-2-en-1-yl]-3-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,2,3,4,4a,5,6,7,8,9a-decahydrocarbazole?

The IUPAC name of 9-[4-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-2-yl)cyclohex-2-en-1-yl]-3-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,2,3,4,4a,5,6,7,8,9a-decahydrocarbazole (CID 159213909) is 9-[4-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-2-yl)cyclohex-2-en-1-yl]-3-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,2,3,4,4a,5,6,7,8,9a-decahydrocarbazole.

What is the SMILES notation for 9-[4-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-2-yl)cyclohex-2-en-1-yl]-3-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,2,3,4,4a,5,6,7,8,9a-decahydrocarbazole?

The canonical SMILES for 9-[4-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-2-yl)cyclohex-2-en-1-yl]-3-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,2,3,4,4a,5,6,7,8,9a-decahydrocarbazole is CC1CCC(N2C3CCCCC3C3CC(C4=CCC(C5CCC6C(C5)C5=C(CCCC5)N6C5C=CC(C6NC7CCCCC7C(C7CCCCC7)N6)CC5)C=C4)CCC32)CC1.

What is the InChIKey of 9-[4-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-2-yl)cyclohex-2-en-1-yl]-3-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,2,3,4,4a,5,6,7,8,9a-decahydrocarbazole?

The InChIKey is KQVHGGPVMHESFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H88N4/c1-37-19-29-44(30-20-37)60-52-17-9-6-13-46(52)49-35-42(27-33-54(49)60)38-21-23-39(24-22-38)43-28-34-55-50(36-43)47-14-7-10-18-53(47)61(55)45-31-25-41(26-32-45)57-58-51-16-8-5-15-48(51)56(59-57)40-11-3-2-4-12-40/h21-23,25,31,37,39-46,48-52,54-59H,2-20,24,26-30,32-36H2,1H3.

What are the key properties of 9-[4-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-2-yl)cyclohex-2-en-1-yl]-3-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,2,3,4,4a,5,6,7,8,9a-decahydrocarbazole?

9-[4-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-2-yl)cyclohex-2-en-1-yl]-3-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,2,3,4,4a,5,6,7,8,9a-decahydrocarbazole has a molecular weight of 829.36 g/mol, XLogP of 13.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-2-yl)cyclohex-2-en-1-yl]-3-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,2,3,4,4a,5,6,7,8,9a-decahydrocarbazole is sourced from PubChem (CID 159213909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).