9-[4-(4-cyclohex-3-en-1-yl-3,4,4a,7,8,8a-hexahydro-2H-quinazolin-1-id-2-yl)cyclohexyl]-6-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexen-1-yl]-1,2,3,4,4a,4b,7,8,8a,9a-decahydrocarbazole

C57H87N4- — CID 163780140

About 9-[4-(4-cyclohex-3-en-1-yl-3,4,4a,7,8,8a-hexahydro-2H-quinazolin-1-id-2-yl)cyclohexyl]-6-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexen-1-yl]-1,2,3,4,4a,4b,7,8,8a,9a-decahydrocarbazole

9-[4-(4-cyclohex-3-en-1-yl-3,4,4a,7,8,8a-hexahydro-2H-quinazolin-1-id-2-yl)cyclohexyl]-6-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexen-1-yl]-1,2,3,4,4a,4b,7,8,8a,9a-decahydrocarbazole (PubChem CID 163780140) has the molecular formula C57H87N4- and a molecular weight of 828.35 g/mol. Its IUPAC name is 9-[4-(4-cyclohex-3-en-1-yl-3,4,4a,7,8,8a-hexahydro-2H-quinazolin-1-id-2-yl)cyclohexyl]-6-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexen-1-yl]-1,2,3,4,4a,4b,7,8,8a,9a-decahydrocarbazole.

Molecular Properties

• Compound Name: 9-[4-(4-cyclohex-3-en-1-yl-3,4,4a,7,8,8a-hexahydro-2H-quinazolin-1-id-2-yl)cyclohexyl]-6-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexen-1-yl]-1,2,3,4,4a,4b,7,8,8a,9a-decahydrocarbazole
• PubChem CID: 163780140
• Molecular Formula: C57H87N4-
• Molecular Weight: 828.35 g/mol
• Exact Mass: 827.69
• IUPAC Name: 9-[4-(4-cyclohex-3-en-1-yl-3,4,4a,7,8,8a-hexahydro-2H-quinazolin-1-id-2-yl)cyclohexyl]-6-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexen-1-yl]-1,2,3,4,4a,4b,7,8,8a,9a-decahydrocarbazole
• SMILES: CC1CCC(N2C3CCCCC3C3CC(C4CC=C(C5=CC6C7CCCCC7N(C7CCC(C8[N-]C9CCC=CC9C(C9CC=CCC9)N8)CC7)C6CC5)CC4)CCC32)CC1
• InChI: InChI=1S/C57H87N4/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/h2-3,5,15,23,36-38,40-42,44-57,59H,4,6-14,16-22,24-35H2,1H3/q-1
• InChIKey: MNXDJJZFEAPYSR-UHFFFAOYSA-N
• XLogP: 13.45
• TPSA: 32.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.35
LogP ≤ 5	13.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-cyclohex-3-en-1-yl-3,4,4a,7,8,8a-hexahydro-2H-quinazolin-1-id-2-yl)cyclohexyl]-6-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexen-1-yl]-1,2,3,4,4a,4b,7,8,8a,9a-decahydrocarbazole?

The IUPAC name of 9-[4-(4-cyclohex-3-en-1-yl-3,4,4a,7,8,8a-hexahydro-2H-quinazolin-1-id-2-yl)cyclohexyl]-6-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexen-1-yl]-1,2,3,4,4a,4b,7,8,8a,9a-decahydrocarbazole (CID 163780140) is 9-[4-(4-cyclohex-3-en-1-yl-3,4,4a,7,8,8a-hexahydro-2H-quinazolin-1-id-2-yl)cyclohexyl]-6-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexen-1-yl]-1,2,3,4,4a,4b,7,8,8a,9a-decahydrocarbazole.

What is the SMILES notation for 9-[4-(4-cyclohex-3-en-1-yl-3,4,4a,7,8,8a-hexahydro-2H-quinazolin-1-id-2-yl)cyclohexyl]-6-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexen-1-yl]-1,2,3,4,4a,4b,7,8,8a,9a-decahydrocarbazole?

The canonical SMILES for 9-[4-(4-cyclohex-3-en-1-yl-3,4,4a,7,8,8a-hexahydro-2H-quinazolin-1-id-2-yl)cyclohexyl]-6-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexen-1-yl]-1,2,3,4,4a,4b,7,8,8a,9a-decahydrocarbazole is CC1CCC(N2C3CCCCC3C3CC(C4CC=C(C5=CC6C7CCCCC7N(C7CCC(C8[N-]C9CCC=CC9C(C9CC=CCC9)N8)CC7)C6CC5)CC4)CCC32)CC1.

What is the InChIKey of 9-[4-(4-cyclohex-3-en-1-yl-3,4,4a,7,8,8a-hexahydro-2H-quinazolin-1-id-2-yl)cyclohexyl]-6-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexen-1-yl]-1,2,3,4,4a,4b,7,8,8a,9a-decahydrocarbazole?

The InChIKey is MNXDJJZFEAPYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H87N4/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/h2-3,5,15,23,36-38,40-42,44-57,59H,4,6-14,16-22,24-35H2,1H3/q-1.

What are the key properties of 9-[4-(4-cyclohex-3-en-1-yl-3,4,4a,7,8,8a-hexahydro-2H-quinazolin-1-id-2-yl)cyclohexyl]-6-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexen-1-yl]-1,2,3,4,4a,4b,7,8,8a,9a-decahydrocarbazole?

9-[4-(4-cyclohex-3-en-1-yl-3,4,4a,7,8,8a-hexahydro-2H-quinazolin-1-id-2-yl)cyclohexyl]-6-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexen-1-yl]-1,2,3,4,4a,4b,7,8,8a,9a-decahydrocarbazole has a molecular weight of 828.35 g/mol, XLogP of 13.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4-cyclohex-3-en-1-yl-3,4,4a,7,8,8a-hexahydro-2H-quinazolin-1-id-2-yl)cyclohexyl]-6-[4-[9-(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexen-1-yl]-1,2,3,4,4a,4b,7,8,8a,9a-decahydrocarbazole is sourced from PubChem (CID 163780140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).