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

C55H92F3N3 — CID 140888973

IUPAC3-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
SMILESFC(F)(F)C1CCC(C2CCC(C3CCC(N4C5CCC(N(C6CCCCC6)C6CCCCC6)CC5C5CC(N(C6CCCCC6)C6CCCCC6)CCC54)CC3)CC2)CC1
InChIInChI=1S/C55H92F3N3/c56-55(57,58)43-29-25-41(26-30-43)39-21-23-40(24-22-39)42-27-31-48(32-28-42)61-53-35-33-49(59(44-13-5-1-6-14-44)45-15-7-2-8-16-45)37-51(53)52-38-50(34-36-54(52)61)60(46-17-9-3-10-18-46)47-19-11-4-12-20-47/h39-54H,1-38H2
InChIKeyOKAXOGHGFTVSQQ-UHFFFAOYSA-N
MW852.36 g/mol
LogP15.05
Rot. Bonds9

About 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

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 (PubChem CID 140888973) has the molecular formula C55H92F3N3 and a molecular weight of 852.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID140888973
Molecular FormulaC55H92F3N3
Molecular Weight852.36 g/mol
Exact Mass851.72
IUPAC Name3-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
SMILESFC(F)(F)C1CCC(C2CCC(C3CCC(N4C5CCC(N(C6CCCCC6)C6CCCCC6)CC5C5CC(N(C6CCCCC6)C6CCCCC6)CCC54)CC3)CC2)CC1
InChIInChI=1S/C55H92F3N3/c56-55(57,58)43-29-25-41(26-30-43)39-21-23-40(24-22-39)42-27-31-48(32-28-42)61-53-35-33-49(59(44-13-5-1-6-14-44)45-15-7-2-8-16-45)37-51(53)52-38-50(34-36-54(52)61)60(46-17-9-3-10-18-46)47-19-11-4-12-20-47/h39-54H,1-38H2
InChIKeyOKAXOGHGFTVSQQ-UHFFFAOYSA-N
XLogP15.05
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.36
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
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
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-(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
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
N,N-dicyclohexyl-4-[9-[4-[4-(3-cyclohexyl-1,2,4-thiadiazolidin-5-yl)cyclohexyl]cyclohexyl]-6-[4-(dicyclohexylamino)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine
CID 140888623
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-(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
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
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
1-cyclopentyl-4-(trifluoromethyl)cyclohexane
CID 70984825

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)C1CCC(C2CCC(C3CCC(N4C5CCC(N(C6CCCCC6)C6CCCCC6)CC5C5CC(N(C6CCCCC6)C6CCCCC6)CCC54)CC3)CC2)CC1.
What is the InChIKey of 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?
The InChIKey is OKAXOGHGFTVSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H92F3N3/c56-55(57,58)43-29-25-41(26-30-43)39-21-23-40(24-22-39)42-27-31-48(32-28-42)61-53-35-33-49(59(44-13-5-1-6-14-44)45-15-7-2-8-16-45)37-51(53)52-38-50(34-36-54(52)61)60(46-17-9-3-10-18-46)47-19-11-4-12-20-47/h39-54H,1-38H2.
What are the key properties of 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?
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 has a molecular weight of 852.36 g/mol, XLogP of 15.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140888973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).