1-[3,5-bis[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one

C73H123N7O — CID 140888723

IUPAC1-[3,5-bis[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
SMILESO=C1CCN(C2CC(C3CCC(N4C5CCNCC5C5CC(N(C6CCCCC6)C6CCCCC6)CCC54)CC3)CC(C3CCC(N4C5CCNCC5C5CC(N(C6CCCCC6)C6CCCCC6)CCC54)CC3)C2)C2CCCCC12
InChIInChI=1S/C73H123N7O/c81-73-39-42-76(68-24-14-13-23-63(68)73)62-44-52(50-25-29-58(30-26-50)79-69-35-33-60(46-64(69)66-48-74-40-37-71(66)79)77(54-15-5-1-6-16-54)55-17-7-2-8-18-55)43-53(45-62)51-27-31-59(32-28-51)80-70-36-34-61(47-65(70)67-49-75-41-38-72(67)80)78(56-19-9-3-10-20-56)57-21-11-4-12-22-57/h50-72,74-75H,1-49H2
InChIKeyCLZJLMNUZVYSBG-UHFFFAOYSA-N
MW1114.83 g/mol
LogP14.32
Rot. Bonds11

About 1-[3,5-bis[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one

1-[3,5-bis[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one (PubChem CID 140888723) has the molecular formula C73H123N7O and a molecular weight of 1114.83 g/mol. Its IUPAC name is 1-[3,5-bis[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one.

Molecular Properties

Compound Name1-[3,5-bis[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
PubChem CID140888723
Molecular FormulaC73H123N7O
Molecular Weight1114.83 g/mol
Exact Mass1113.98
IUPAC Name1-[3,5-bis[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
SMILESO=C1CCN(C2CC(C3CCC(N4C5CCNCC5C5CC(N(C6CCCCC6)C6CCCCC6)CCC54)CC3)CC(C3CCC(N4C5CCNCC5C5CC(N(C6CCCCC6)C6CCCCC6)CCC54)CC3)C2)C2CCCCC12
InChIInChI=1S/C73H123N7O/c81-73-39-42-76(68-24-14-13-23-63(68)73)62-44-52(50-25-29-58(30-26-50)79-69-35-33-60(46-64(69)66-48-74-40-37-71(66)79)77(54-15-5-1-6-16-54)55-17-7-2-8-18-55)43-53(45-62)51-27-31-59(32-28-51)80-70-36-34-61(47-65(70)67-49-75-41-38-72(67)80)78(56-19-9-3-10-20-56)57-21-11-4-12-22-57/h50-72,74-75H,1-49H2
InChIKeyCLZJLMNUZVYSBG-UHFFFAOYSA-N
XLogP14.32
TPSA57.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001114.83
LogP ≤ 514.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[3,5-bis(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl)cyclohexyl]cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine
CID 140888537
3-N,3-N,6-N,6-N-tetracyclohexyl-9-[4-[4-[4-(trifluoromethyl)cyclohexyl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine
CID 140888973
N,N-dicyclohexyl-9-[4-[4-(8-thia-6-azatricyclo[7.4.0.02,7]tridecan-3-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine
CID 140888793
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
3-N,3-N,6-N,6-N-tetracyclohexyl-9-(2-cyclohexyl-1,3-diazinan-5-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine
CID 140888740
9-[4-[4-(2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-yl)cyclohexyl]cyclohexyl]-3-N,3-N,6-N,6-N-tetracyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine
CID 140888668
8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-5-(4-piperazin-2-ylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole
CID 140888826
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-(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
N,N-dicyclohexyl-4-[9-[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine
CID 140888731
1-[4-[6-[4-(1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydro-[1]benzofuro[2,3-b]carbazol-7-yl)cyclohexyl]-4-oxo-2,3,4a,5,6,7,8,8a-octahydrochromen-2-yl]cyclohexyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 140888554
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

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one?
The IUPAC name of 1-[3,5-bis[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one (CID 140888723) is 1-[3,5-bis[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one.
What is the SMILES notation for 1-[3,5-bis[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one?
The canonical SMILES for 1-[3,5-bis[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one is O=C1CCN(C2CC(C3CCC(N4C5CCNCC5C5CC(N(C6CCCCC6)C6CCCCC6)CCC54)CC3)CC(C3CCC(N4C5CCNCC5C5CC(N(C6CCCCC6)C6CCCCC6)CCC54)CC3)C2)C2CCCCC12.
What is the InChIKey of 1-[3,5-bis[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one?
The InChIKey is CLZJLMNUZVYSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H123N7O/c81-73-39-42-76(68-24-14-13-23-63(68)73)62-44-52(50-25-29-58(30-26-50)79-69-35-33-60(46-64(69)66-48-74-40-37-71(66)79)77(54-15-5-1-6-16-54)55-17-7-2-8-18-55)43-53(45-62)51-27-31-59(32-28-51)80-70-36-34-61(47-65(70)67-49-75-41-38-72(67)80)78(56-19-9-3-10-20-56)57-21-11-4-12-22-57/h50-72,74-75H,1-49H2.
What are the key properties of 1-[3,5-bis[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one?
1-[3,5-bis[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one has a molecular weight of 1114.83 g/mol, XLogP of 14.32, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one is sourced from PubChem (CID 140888723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).