9-[4-[4-[1,2-di(cyclohex-3-en-1-yl)-2-[4-[4-(1,2,7,8-tetrahydrocarbazol-9-yl)cyclohex-2-en-1-yl]cyclohex-2-en-1-yl]ethyl]cyclohex-2-en-1-yl]cyclohexyl]-1,2,7,8-tetrahydrocarbazole

C62H78N2 — CID 71084460

IUPAC9-[4-[4-[1,2-di(cyclohex-3-en-1-yl)-2-[4-[4-(1,2,7,8-tetrahydrocarbazol-9-yl)cyclohex-2-en-1-yl]cyclohex-2-en-1-yl]ethyl]cyclohex-2-en-1-yl]cyclohexyl]-1,2,7,8-tetrahydrocarbazole
SMILESC1=Cc2c3c(n(C4C=CC(C5C=CC(C(C6CC=CCC6)C(C6C=CC(C7CCC(n8c9c(c%10c8CCC=C%10)C=CCC9)CC7)CC6)C6CC=CCC6)CC5)CC4)c2CC1)CCC=C3
InChIInChI=1S/C62H78N2/c1-3-15-47(16-4-1)61(49-31-27-43(28-32-49)45-35-39-51(40-36-45)63-57-23-11-7-19-53(57)54-20-8-12-24-58(54)63)62(48-17-5-2-6-18-48)50-33-29-44(30-34-50)46-37-41-52(42-38-46)64-59-25-13-9-21-55(59)56-22-10-14-26-60(56)64/h1-3,5,7-10,19-22,27,29,31,33,35,39,43-52,61-62H,4,6,11-18,23-26,28,30,32,34,36-38,40-42H2
InChIKeyFQPXIMYZDNPAHA-UHFFFAOYSA-N
MW851.32 g/mol
LogP16.18
Rot. Bonds9

About 9-[4-[4-[1,2-di(cyclohex-3-en-1-yl)-2-[4-[4-(1,2,7,8-tetrahydrocarbazol-9-yl)cyclohex-2-en-1-yl]cyclohex-2-en-1-yl]ethyl]cyclohex-2-en-1-yl]cyclohexyl]-1,2,7,8-tetrahydrocarbazole

9-[4-[4-[1,2-di(cyclohex-3-en-1-yl)-2-[4-[4-(1,2,7,8-tetrahydrocarbazol-9-yl)cyclohex-2-en-1-yl]cyclohex-2-en-1-yl]ethyl]cyclohex-2-en-1-yl]cyclohexyl]-1,2,7,8-tetrahydrocarbazole (PubChem CID 71084460) has the molecular formula C62H78N2 and a molecular weight of 851.32 g/mol. Its IUPAC name is 9-[4-[4-[1,2-di(cyclohex-3-en-1-yl)-2-[4-[4-(1,2,7,8-tetrahydrocarbazol-9-yl)cyclohex-2-en-1-yl]cyclohex-2-en-1-yl]ethyl]cyclohex-2-en-1-yl]cyclohexyl]-1,2,7,8-tetrahydrocarbazole.

Molecular Properties

Compound Name9-[4-[4-[1,2-di(cyclohex-3-en-1-yl)-2-[4-[4-(1,2,7,8-tetrahydrocarbazol-9-yl)cyclohex-2-en-1-yl]cyclohex-2-en-1-yl]ethyl]cyclohex-2-en-1-yl]cyclohexyl]-1,2,7,8-tetrahydrocarbazole
PubChem CID71084460
Molecular FormulaC62H78N2
Molecular Weight851.32 g/mol
Exact Mass850.62
IUPAC Name9-[4-[4-[1,2-di(cyclohex-3-en-1-yl)-2-[4-[4-(1,2,7,8-tetrahydrocarbazol-9-yl)cyclohex-2-en-1-yl]cyclohex-2-en-1-yl]ethyl]cyclohex-2-en-1-yl]cyclohexyl]-1,2,7,8-tetrahydrocarbazole
SMILESC1=Cc2c3c(n(C4C=CC(C5C=CC(C(C6CC=CCC6)C(C6C=CC(C7CCC(n8c9c(c%10c8CCC=C%10)C=CCC9)CC7)CC6)C6CC=CCC6)CC5)CC4)c2CC1)CCC=C3
InChIInChI=1S/C62H78N2/c1-3-15-47(16-4-1)61(49-31-27-43(28-32-49)45-35-39-51(40-36-45)63-57-23-11-7-19-53(57)54-20-8-12-24-58(54)63)62(48-17-5-2-6-18-48)50-33-29-44(30-34-50)46-37-41-52(42-38-46)64-59-25-13-9-21-55(59)56-22-10-14-26-60(56)64/h1-3,5,7-10,19-22,27,29,31,33,35,39,43-52,61-62H,4,6,11-18,23-26,28,30,32,34,36-38,40-42H2
InChIKeyFQPXIMYZDNPAHA-UHFFFAOYSA-N
XLogP16.18
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.32
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-[4-[4-[1,2-di(cyclohex-3-en-1-yl)-2-[4-[4-(1,2,7,8-tetrahydrocarbazol-9-yl)cyclohex-2-en-1-yl]cyclohex-2-en-1-yl]ethyl]cyclohex-2-en-1-yl]cyclohexyl]-1,2,7,8-tetrahydrocarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[1,2-di(cyclohex-3-en-1-yl)-2-[4-[4-(1,2,7,8-tetrahydrocarbazol-9-yl)cyclohex-2-en-1-yl]cyclohex-2-en-1-yl]ethyl]cyclohex-2-en-1-yl]cyclohexyl]-1,2,7,8-tetrahydrocarbazole?
The IUPAC name of 9-[4-[4-[1,2-di(cyclohex-3-en-1-yl)-2-[4-[4-(1,2,7,8-tetrahydrocarbazol-9-yl)cyclohex-2-en-1-yl]cyclohex-2-en-1-yl]ethyl]cyclohex-2-en-1-yl]cyclohexyl]-1,2,7,8-tetrahydrocarbazole (CID 71084460) is 9-[4-[4-[1,2-di(cyclohex-3-en-1-yl)-2-[4-[4-(1,2,7,8-tetrahydrocarbazol-9-yl)cyclohex-2-en-1-yl]cyclohex-2-en-1-yl]ethyl]cyclohex-2-en-1-yl]cyclohexyl]-1,2,7,8-tetrahydrocarbazole.
What is the SMILES notation for 9-[4-[4-[1,2-di(cyclohex-3-en-1-yl)-2-[4-[4-(1,2,7,8-tetrahydrocarbazol-9-yl)cyclohex-2-en-1-yl]cyclohex-2-en-1-yl]ethyl]cyclohex-2-en-1-yl]cyclohexyl]-1,2,7,8-tetrahydrocarbazole?
The canonical SMILES for 9-[4-[4-[1,2-di(cyclohex-3-en-1-yl)-2-[4-[4-(1,2,7,8-tetrahydrocarbazol-9-yl)cyclohex-2-en-1-yl]cyclohex-2-en-1-yl]ethyl]cyclohex-2-en-1-yl]cyclohexyl]-1,2,7,8-tetrahydrocarbazole is C1=Cc2c3c(n(C4C=CC(C5C=CC(C(C6CC=CCC6)C(C6C=CC(C7CCC(n8c9c(c%10c8CCC=C%10)C=CCC9)CC7)CC6)C6CC=CCC6)CC5)CC4)c2CC1)CCC=C3.
What is the InChIKey of 9-[4-[4-[1,2-di(cyclohex-3-en-1-yl)-2-[4-[4-(1,2,7,8-tetrahydrocarbazol-9-yl)cyclohex-2-en-1-yl]cyclohex-2-en-1-yl]ethyl]cyclohex-2-en-1-yl]cyclohexyl]-1,2,7,8-tetrahydrocarbazole?
The InChIKey is FQPXIMYZDNPAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H78N2/c1-3-15-47(16-4-1)61(49-31-27-43(28-32-49)45-35-39-51(40-36-45)63-57-23-11-7-19-53(57)54-20-8-12-24-58(54)63)62(48-17-5-2-6-18-48)50-33-29-44(30-34-50)46-37-41-52(42-38-46)64-59-25-13-9-21-55(59)56-22-10-14-26-60(56)64/h1-3,5,7-10,19-22,27,29,31,33,35,39,43-52,61-62H,4,6,11-18,23-26,28,30,32,34,36-38,40-42H2.
What are the key properties of 9-[4-[4-[1,2-di(cyclohex-3-en-1-yl)-2-[4-[4-(1,2,7,8-tetrahydrocarbazol-9-yl)cyclohex-2-en-1-yl]cyclohex-2-en-1-yl]ethyl]cyclohex-2-en-1-yl]cyclohexyl]-1,2,7,8-tetrahydrocarbazole?
9-[4-[4-[1,2-di(cyclohex-3-en-1-yl)-2-[4-[4-(1,2,7,8-tetrahydrocarbazol-9-yl)cyclohex-2-en-1-yl]cyclohex-2-en-1-yl]ethyl]cyclohex-2-en-1-yl]cyclohexyl]-1,2,7,8-tetrahydrocarbazole has a molecular weight of 851.32 g/mol, XLogP of 16.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[1,2-di(cyclohex-3-en-1-yl)-2-[4-[4-(1,2,7,8-tetrahydrocarbazol-9-yl)cyclohex-2-en-1-yl]cyclohex-2-en-1-yl]ethyl]cyclohex-2-en-1-yl]cyclohexyl]-1,2,7,8-tetrahydrocarbazole is sourced from PubChem (CID 71084460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).