5-(3-cyclohexyl-5-phenylcyclohexyl)-8-dibenzofuran-4-yl-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b]indole

C43H53NO — CID 155017050

IUPAC5-(3-cyclohexyl-5-phenylcyclohexyl)-8-dibenzofuran-4-yl-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b]indole
SMILESc1ccc(C2CC(C3CCCCC3)CC(N3C4CCCCC4C4CCC(c5cccc6c5oc5ccccc56)CCC43)C2)cc1
InChIInChI=1S/C43H53NO/c1-3-12-29(13-4-1)32-26-33(30-14-5-2-6-15-30)28-34(27-32)44-40-20-9-7-16-36(40)37-24-22-31(23-25-41(37)44)35-18-11-19-39-38-17-8-10-21-42(38)45-43(35)39/h1,3-4,8,10-13,17-19,21,30-34,36-37,40-41H,2,5-7,9,14-16,20,22-28H2
InChIKeyVTTZBSBRQFELMI-UHFFFAOYSA-N
MW599.90 g/mol
LogP11.64
Rot. Bonds4

About 5-(3-cyclohexyl-5-phenylcyclohexyl)-8-dibenzofuran-4-yl-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b]indole

5-(3-cyclohexyl-5-phenylcyclohexyl)-8-dibenzofuran-4-yl-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b]indole (PubChem CID 155017050) has the molecular formula C43H53NO and a molecular weight of 599.90 g/mol. Its IUPAC name is 5-(3-cyclohexyl-5-phenylcyclohexyl)-8-dibenzofuran-4-yl-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b]indole.

Molecular Properties

Compound Name5-(3-cyclohexyl-5-phenylcyclohexyl)-8-dibenzofuran-4-yl-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b]indole
PubChem CID155017050
Molecular FormulaC43H53NO
Molecular Weight599.90 g/mol
Exact Mass599.41
IUPAC Name5-(3-cyclohexyl-5-phenylcyclohexyl)-8-dibenzofuran-4-yl-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b]indole
SMILESc1ccc(C2CC(C3CCCCC3)CC(N3C4CCCCC4C4CCC(c5cccc6c5oc5ccccc56)CCC43)C2)cc1
InChIInChI=1S/C43H53NO/c1-3-12-29(13-4-1)32-26-33(30-14-5-2-6-15-30)28-34(27-32)44-40-20-9-7-16-36(40)37-24-22-31(23-25-41(37)44)35-18-11-19-39-38-17-8-10-21-42(38)45-43(35)39/h1,3-4,8,10-13,17-19,21,30-34,36-37,40-41H,2,5-7,9,14-16,20,22-28H2
InChIKeyVTTZBSBRQFELMI-UHFFFAOYSA-N
XLogP11.64
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.90
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3-cyclohexyl-5-phenylcyclohexyl)-8-dibenzofuran-4-yl-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclohexyl-5-phenylcyclohexyl)-8-dibenzofuran-4-yl-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b]indole?
The IUPAC name of 5-(3-cyclohexyl-5-phenylcyclohexyl)-8-dibenzofuran-4-yl-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b]indole (CID 155017050) is 5-(3-cyclohexyl-5-phenylcyclohexyl)-8-dibenzofuran-4-yl-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b]indole.
What is the SMILES notation for 5-(3-cyclohexyl-5-phenylcyclohexyl)-8-dibenzofuran-4-yl-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b]indole?
The canonical SMILES for 5-(3-cyclohexyl-5-phenylcyclohexyl)-8-dibenzofuran-4-yl-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b]indole is c1ccc(C2CC(C3CCCCC3)CC(N3C4CCCCC4C4CCC(c5cccc6c5oc5ccccc56)CCC43)C2)cc1.
What is the InChIKey of 5-(3-cyclohexyl-5-phenylcyclohexyl)-8-dibenzofuran-4-yl-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b]indole?
The InChIKey is VTTZBSBRQFELMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H53NO/c1-3-12-29(13-4-1)32-26-33(30-14-5-2-6-15-30)28-34(27-32)44-40-20-9-7-16-36(40)37-24-22-31(23-25-41(37)44)35-18-11-19-39-38-17-8-10-21-42(38)45-43(35)39/h1,3-4,8,10-13,17-19,21,30-34,36-37,40-41H,2,5-7,9,14-16,20,22-28H2.
What are the key properties of 5-(3-cyclohexyl-5-phenylcyclohexyl)-8-dibenzofuran-4-yl-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b]indole?
5-(3-cyclohexyl-5-phenylcyclohexyl)-8-dibenzofuran-4-yl-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b]indole has a molecular weight of 599.90 g/mol, XLogP of 11.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclohexyl-5-phenylcyclohexyl)-8-dibenzofuran-4-yl-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b]indole is sourced from PubChem (CID 155017050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).