7-[9-[3-(cyclohexen-1-yl)-5-cyclohex-3-en-1-ylcyclohexen-1-yl]-1,2,4a,4b,7,8,8a,9a-octahydrocarbazol-2-yl]-9-cyclohexyl-1,2,4a,7,8,9a-hexahydrocarbazole

C48H64N2 — CID 134390437

IUPAC7-[9-[3-(cyclohexen-1-yl)-5-cyclohex-3-en-1-ylcyclohexen-1-yl]-1,2,4a,4b,7,8,8a,9a-octahydrocarbazol-2-yl]-9-cyclohexyl-1,2,4a,7,8,9a-hexahydrocarbazole
SMILESC1=CCC(C2CC(N3C4CCC=CC4C4C=CC(C5C=CC6=C(C5)N(C5CCCCC5)C5CCC=CC65)CC43)=CC(C3=CCCCC3)C2)CC1
InChIInChI=1S/C48H64N2/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-40(29-37)50-46-23-13-11-21-42(46)44-27-25-36(32-48(44)50)35-24-26-43-41-20-10-12-22-45(41)49(47(43)31-35)39-18-8-3-9-19-39/h1,4,10-11,16,20-21,24-27,30,33,35-39,41-42,44-46,48H,2-3,5-9,12-15,17-19,22-23,28-29,31-32H2
InChIKeyLOBHUJITUXKDBH-UHFFFAOYSA-N
MW669.05 g/mol
LogP11.78
Rot. Bonds5

About 7-[9-[3-(cyclohexen-1-yl)-5-cyclohex-3-en-1-ylcyclohexen-1-yl]-1,2,4a,4b,7,8,8a,9a-octahydrocarbazol-2-yl]-9-cyclohexyl-1,2,4a,7,8,9a-hexahydrocarbazole

7-[9-[3-(cyclohexen-1-yl)-5-cyclohex-3-en-1-ylcyclohexen-1-yl]-1,2,4a,4b,7,8,8a,9a-octahydrocarbazol-2-yl]-9-cyclohexyl-1,2,4a,7,8,9a-hexahydrocarbazole (PubChem CID 134390437) has the molecular formula C48H64N2 and a molecular weight of 669.05 g/mol. Its IUPAC name is 7-[9-[3-(cyclohexen-1-yl)-5-cyclohex-3-en-1-ylcyclohexen-1-yl]-1,2,4a,4b,7,8,8a,9a-octahydrocarbazol-2-yl]-9-cyclohexyl-1,2,4a,7,8,9a-hexahydrocarbazole.

Molecular Properties

Compound Name7-[9-[3-(cyclohexen-1-yl)-5-cyclohex-3-en-1-ylcyclohexen-1-yl]-1,2,4a,4b,7,8,8a,9a-octahydrocarbazol-2-yl]-9-cyclohexyl-1,2,4a,7,8,9a-hexahydrocarbazole
PubChem CID134390437
Molecular FormulaC48H64N2
Molecular Weight669.05 g/mol
Exact Mass668.51
IUPAC Name7-[9-[3-(cyclohexen-1-yl)-5-cyclohex-3-en-1-ylcyclohexen-1-yl]-1,2,4a,4b,7,8,8a,9a-octahydrocarbazol-2-yl]-9-cyclohexyl-1,2,4a,7,8,9a-hexahydrocarbazole
SMILESC1=CCC(C2CC(N3C4CCC=CC4C4C=CC(C5C=CC6=C(C5)N(C5CCCCC5)C5CCC=CC65)CC43)=CC(C3=CCCCC3)C2)CC1
InChIInChI=1S/C48H64N2/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-40(29-37)50-46-23-13-11-21-42(46)44-27-25-36(32-48(44)50)35-24-26-43-41-20-10-12-22-45(41)49(47(43)31-35)39-18-8-3-9-19-39/h1,4,10-11,16,20-21,24-27,30,33,35-39,41-42,44-46,48H,2-3,5-9,12-15,17-19,22-23,28-29,31-32H2
InChIKeyLOBHUJITUXKDBH-UHFFFAOYSA-N
XLogP11.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.05
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-[9-[3-(cyclohexen-1-yl)-5-cyclohex-3-en-1-ylcyclohexen-1-yl]-1,2,4a,4b,7,8,8a,9a-octahydrocarbazol-2-yl]-9-cyclohexyl-1,2,4a,7,8,9a-hexahydrocarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[9-[3-(cyclohexen-1-yl)-5-cyclohex-3-en-1-ylcyclohexen-1-yl]-1,2,4a,4b,7,8,8a,9a-octahydrocarbazol-2-yl]-9-cyclohexyl-1,2,4a,7,8,9a-hexahydrocarbazole?
The IUPAC name of 7-[9-[3-(cyclohexen-1-yl)-5-cyclohex-3-en-1-ylcyclohexen-1-yl]-1,2,4a,4b,7,8,8a,9a-octahydrocarbazol-2-yl]-9-cyclohexyl-1,2,4a,7,8,9a-hexahydrocarbazole (CID 134390437) is 7-[9-[3-(cyclohexen-1-yl)-5-cyclohex-3-en-1-ylcyclohexen-1-yl]-1,2,4a,4b,7,8,8a,9a-octahydrocarbazol-2-yl]-9-cyclohexyl-1,2,4a,7,8,9a-hexahydrocarbazole.
What is the SMILES notation for 7-[9-[3-(cyclohexen-1-yl)-5-cyclohex-3-en-1-ylcyclohexen-1-yl]-1,2,4a,4b,7,8,8a,9a-octahydrocarbazol-2-yl]-9-cyclohexyl-1,2,4a,7,8,9a-hexahydrocarbazole?
The canonical SMILES for 7-[9-[3-(cyclohexen-1-yl)-5-cyclohex-3-en-1-ylcyclohexen-1-yl]-1,2,4a,4b,7,8,8a,9a-octahydrocarbazol-2-yl]-9-cyclohexyl-1,2,4a,7,8,9a-hexahydrocarbazole is C1=CCC(C2CC(N3C4CCC=CC4C4C=CC(C5C=CC6=C(C5)N(C5CCCCC5)C5CCC=CC65)CC43)=CC(C3=CCCCC3)C2)CC1.
What is the InChIKey of 7-[9-[3-(cyclohexen-1-yl)-5-cyclohex-3-en-1-ylcyclohexen-1-yl]-1,2,4a,4b,7,8,8a,9a-octahydrocarbazol-2-yl]-9-cyclohexyl-1,2,4a,7,8,9a-hexahydrocarbazole?
The InChIKey is LOBHUJITUXKDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H64N2/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-40(29-37)50-46-23-13-11-21-42(46)44-27-25-36(32-48(44)50)35-24-26-43-41-20-10-12-22-45(41)49(47(43)31-35)39-18-8-3-9-19-39/h1,4,10-11,16,20-21,24-27,30,33,35-39,41-42,44-46,48H,2-3,5-9,12-15,17-19,22-23,28-29,31-32H2.
What are the key properties of 7-[9-[3-(cyclohexen-1-yl)-5-cyclohex-3-en-1-ylcyclohexen-1-yl]-1,2,4a,4b,7,8,8a,9a-octahydrocarbazol-2-yl]-9-cyclohexyl-1,2,4a,7,8,9a-hexahydrocarbazole?
7-[9-[3-(cyclohexen-1-yl)-5-cyclohex-3-en-1-ylcyclohexen-1-yl]-1,2,4a,4b,7,8,8a,9a-octahydrocarbazol-2-yl]-9-cyclohexyl-1,2,4a,7,8,9a-hexahydrocarbazole has a molecular weight of 669.05 g/mol, XLogP of 11.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[9-[3-(cyclohexen-1-yl)-5-cyclohex-3-en-1-ylcyclohexen-1-yl]-1,2,4a,4b,7,8,8a,9a-octahydrocarbazol-2-yl]-9-cyclohexyl-1,2,4a,7,8,9a-hexahydrocarbazole is sourced from PubChem (CID 134390437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).