1-[4-[4-[6-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-9-yl]cyclohexyl]cyclohexyl]-2,2,2-trifluoroethanone

C43H68F3N3O — CID 140888840

IUPAC1-[4-[4-[6-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-9-yl]cyclohexyl]cyclohexyl]-2,2,2-trifluoroethanone
SMILESO=C(C1CCC(C2CCC(N3C4CCC(C5CCC(N6C7CCCCC7C7CCCCC76)CC5)CC4C4CCCNC43)CC2)CC1)C(F)(F)F
InChIInChI=1S/C43H68F3N3O/c44-43(45,46)41(50)30-13-11-27(12-14-30)28-15-22-33(23-16-28)49-40-24-19-31(26-37(40)36-8-5-25-47-42(36)49)29-17-20-32(21-18-29)48-38-9-3-1-6-34(38)35-7-2-4-10-39(35)48/h27-40,42,47H,1-26H2
InChIKeySCAUQHWILKHBIL-UHFFFAOYSA-N
MW700.03 g/mol
LogP9.90
Rot. Bonds5

About 1-[4-[4-[6-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-9-yl]cyclohexyl]cyclohexyl]-2,2,2-trifluoroethanone

1-[4-[4-[6-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-9-yl]cyclohexyl]cyclohexyl]-2,2,2-trifluoroethanone (PubChem CID 140888840) has the molecular formula C43H68F3N3O and a molecular weight of 700.03 g/mol. Its IUPAC name is 1-[4-[4-[6-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-9-yl]cyclohexyl]cyclohexyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-[4-[6-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-9-yl]cyclohexyl]cyclohexyl]-2,2,2-trifluoroethanone
PubChem CID140888840
Molecular FormulaC43H68F3N3O
Molecular Weight700.03 g/mol
Exact Mass699.53
IUPAC Name1-[4-[4-[6-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-9-yl]cyclohexyl]cyclohexyl]-2,2,2-trifluoroethanone
SMILESO=C(C1CCC(C2CCC(N3C4CCC(C5CCC(N6C7CCCCC7C7CCCCC76)CC5)CC4C4CCCNC43)CC2)CC1)C(F)(F)F
InChIInChI=1S/C43H68F3N3O/c44-43(45,46)41(50)30-13-11-27(12-14-30)28-15-22-33(23-16-28)49-40-24-19-31(26-37(40)36-8-5-25-47-42(36)49)29-17-20-32(21-18-29)48-38-9-3-1-6-34(38)35-7-2-4-10-39(35)48/h27-40,42,47H,1-26H2
InChIKeySCAUQHWILKHBIL-UHFFFAOYSA-N
XLogP9.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.03
LogP ≤ 59.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-[6-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-9-yl]cyclohexyl]cyclohexyl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

9-piperidin-4-yl-3-(9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 155326888
10-[3-[2-[4-(2,2,2-trifluoroacetyl)cyclohexyl]cyclopentyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-9-one
CID 155621691
9-(3-cyclohexylcyclohexyl)-3-[9-(3-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;9-(4-cyclohexylcyclohexyl)-3-[9-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 161252152
9-(3-cyclohexylcyclohexyl)-3-[3-[9-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 155326548
3-[3-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)cyclohexyl]-9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;9-(3-cyclohexylcyclohexyl)-3-[3-[9-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 159703470
9-[4-[3,4-bis(trifluoromethyl)cyclohexyl]cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine
CID 140888621
2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 159359544
2-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-9-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 118228717
[4-[4-(20-cyclohexyl-10-thia-20-azapentacyclo[11.7.0.03,11.04,9.014,19]icosan-6-yl)cyclohexyl]cyclohexyl]-[4-(diazinan-4-yl)cyclohexyl]methanone
CID 140888978
9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridin-4-yl)cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-6-amine
CID 140888802
5,11-dicyclohexyl-2-[9-[4-(diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-6-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole
CID 140888984
1-cyclopentyl-2,2,2-trifluoroethanone
CID 15002815

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[6-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-9-yl]cyclohexyl]cyclohexyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-[4-[6-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-9-yl]cyclohexyl]cyclohexyl]-2,2,2-trifluoroethanone (CID 140888840) is 1-[4-[4-[6-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-9-yl]cyclohexyl]cyclohexyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-[4-[6-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-9-yl]cyclohexyl]cyclohexyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-[4-[6-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-9-yl]cyclohexyl]cyclohexyl]-2,2,2-trifluoroethanone is O=C(C1CCC(C2CCC(N3C4CCC(C5CCC(N6C7CCCCC7C7CCCCC76)CC5)CC4C4CCCNC43)CC2)CC1)C(F)(F)F.
What is the InChIKey of 1-[4-[4-[6-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-9-yl]cyclohexyl]cyclohexyl]-2,2,2-trifluoroethanone?
The InChIKey is SCAUQHWILKHBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H68F3N3O/c44-43(45,46)41(50)30-13-11-27(12-14-30)28-15-22-33(23-16-28)49-40-24-19-31(26-37(40)36-8-5-25-47-42(36)49)29-17-20-32(21-18-29)48-38-9-3-1-6-34(38)35-7-2-4-10-39(35)48/h27-40,42,47H,1-26H2.
What are the key properties of 1-[4-[4-[6-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-9-yl]cyclohexyl]cyclohexyl]-2,2,2-trifluoroethanone?
1-[4-[4-[6-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-9-yl]cyclohexyl]cyclohexyl]-2,2,2-trifluoroethanone has a molecular weight of 700.03 g/mol, XLogP of 9.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[6-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-9-yl]cyclohexyl]cyclohexyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 140888840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).