5-cyclohexa-1,5-dien-1-yl-7-[3-[4-cyclohexyl-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]cyclohexen-1-yl]-3,4,4a,6a,7a,8,9,10,11,11a,11b,12,12a,12b-tetradecahydroindolo[2,3-b]carbazole

C51H77N5 — CID 134442815

IUPAC5-cyclohexa-1,5-dien-1-yl-7-[3-[4-cyclohexyl-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]cyclohexen-1-yl]-3,4,4a,6a,7a,8,9,10,11,11a,11b,12,12a,12b-tetradecahydroindolo[2,3-b]carbazole
SMILESC1=CC(N2C3=CC4C(CC3C3C=CCCC32)C2CCCCC2N4C2=CC(C3NC(C4CCCCC4)NC(C4CCC(C5CCCCC5)CC4)N3)CCC2)=CCC1
InChIInChI=1S/C51H77N5/c1-4-15-34(16-5-1)35-27-29-37(30-28-35)50-52-49(36-17-6-2-7-18-36)53-51(54-50)38-19-14-22-40(31-38)56-46-26-13-11-24-42(46)44-32-43-41-23-10-12-25-45(41)55(47(43)33-48(44)56)39-20-8-3-9-21-39/h8,10,20-21,23,31,33-38,41-46,48-54H,1-7,9,11-19,22,24-30,32H2
InChIKeyGZLFYEDANQXEGP-UHFFFAOYSA-N
MW760.21 g/mol
LogP11.05
Rot. Bonds6

About 5-cyclohexa-1,5-dien-1-yl-7-[3-[4-cyclohexyl-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]cyclohexen-1-yl]-3,4,4a,6a,7a,8,9,10,11,11a,11b,12,12a,12b-tetradecahydroindolo[2,3-b]carbazole

5-cyclohexa-1,5-dien-1-yl-7-[3-[4-cyclohexyl-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]cyclohexen-1-yl]-3,4,4a,6a,7a,8,9,10,11,11a,11b,12,12a,12b-tetradecahydroindolo[2,3-b]carbazole (PubChem CID 134442815) has the molecular formula C51H77N5 and a molecular weight of 760.21 g/mol. Its IUPAC name is 5-cyclohexa-1,5-dien-1-yl-7-[3-[4-cyclohexyl-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]cyclohexen-1-yl]-3,4,4a,6a,7a,8,9,10,11,11a,11b,12,12a,12b-tetradecahydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-cyclohexa-1,5-dien-1-yl-7-[3-[4-cyclohexyl-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]cyclohexen-1-yl]-3,4,4a,6a,7a,8,9,10,11,11a,11b,12,12a,12b-tetradecahydroindolo[2,3-b]carbazole
PubChem CID134442815
Molecular FormulaC51H77N5
Molecular Weight760.21 g/mol
Exact Mass759.62
IUPAC Name5-cyclohexa-1,5-dien-1-yl-7-[3-[4-cyclohexyl-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]cyclohexen-1-yl]-3,4,4a,6a,7a,8,9,10,11,11a,11b,12,12a,12b-tetradecahydroindolo[2,3-b]carbazole
SMILESC1=CC(N2C3=CC4C(CC3C3C=CCCC32)C2CCCCC2N4C2=CC(C3NC(C4CCCCC4)NC(C4CCC(C5CCCCC5)CC4)N3)CCC2)=CCC1
InChIInChI=1S/C51H77N5/c1-4-15-34(16-5-1)35-27-29-37(30-28-35)50-52-49(36-17-6-2-7-18-36)53-51(54-50)38-19-14-22-40(31-38)56-46-26-13-11-24-42(46)44-32-43-41-23-10-12-25-45(41)55(47(43)33-48(44)56)39-20-8-3-9-21-39/h8,10,20-21,23,31,33-38,41-46,48-54H,1-7,9,11-19,22,24-30,32H2
InChIKeyGZLFYEDANQXEGP-UHFFFAOYSA-N
XLogP11.05
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.21
LogP ≤ 511.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-cyclohexa-1,5-dien-1-yl-7-[3-[4-cyclohexyl-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]cyclohexen-1-yl]-3,4,4a,6a,7a,8,9,10,11,11a,11b,12,12a,12b-tetradecahydroindolo[2,3-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,5-dien-1-yl-7-[3-[4-cyclohexyl-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]cyclohexen-1-yl]-3,4,4a,6a,7a,8,9,10,11,11a,11b,12,12a,12b-tetradecahydroindolo[2,3-b]carbazole?
The IUPAC name of 5-cyclohexa-1,5-dien-1-yl-7-[3-[4-cyclohexyl-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]cyclohexen-1-yl]-3,4,4a,6a,7a,8,9,10,11,11a,11b,12,12a,12b-tetradecahydroindolo[2,3-b]carbazole (CID 134442815) is 5-cyclohexa-1,5-dien-1-yl-7-[3-[4-cyclohexyl-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]cyclohexen-1-yl]-3,4,4a,6a,7a,8,9,10,11,11a,11b,12,12a,12b-tetradecahydroindolo[2,3-b]carbazole.
What is the SMILES notation for 5-cyclohexa-1,5-dien-1-yl-7-[3-[4-cyclohexyl-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]cyclohexen-1-yl]-3,4,4a,6a,7a,8,9,10,11,11a,11b,12,12a,12b-tetradecahydroindolo[2,3-b]carbazole?
The canonical SMILES for 5-cyclohexa-1,5-dien-1-yl-7-[3-[4-cyclohexyl-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]cyclohexen-1-yl]-3,4,4a,6a,7a,8,9,10,11,11a,11b,12,12a,12b-tetradecahydroindolo[2,3-b]carbazole is C1=CC(N2C3=CC4C(CC3C3C=CCCC32)C2CCCCC2N4C2=CC(C3NC(C4CCCCC4)NC(C4CCC(C5CCCCC5)CC4)N3)CCC2)=CCC1.
What is the InChIKey of 5-cyclohexa-1,5-dien-1-yl-7-[3-[4-cyclohexyl-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]cyclohexen-1-yl]-3,4,4a,6a,7a,8,9,10,11,11a,11b,12,12a,12b-tetradecahydroindolo[2,3-b]carbazole?
The InChIKey is GZLFYEDANQXEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H77N5/c1-4-15-34(16-5-1)35-27-29-37(30-28-35)50-52-49(36-17-6-2-7-18-36)53-51(54-50)38-19-14-22-40(31-38)56-46-26-13-11-24-42(46)44-32-43-41-23-10-12-25-45(41)55(47(43)33-48(44)56)39-20-8-3-9-21-39/h8,10,20-21,23,31,33-38,41-46,48-54H,1-7,9,11-19,22,24-30,32H2.
What are the key properties of 5-cyclohexa-1,5-dien-1-yl-7-[3-[4-cyclohexyl-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]cyclohexen-1-yl]-3,4,4a,6a,7a,8,9,10,11,11a,11b,12,12a,12b-tetradecahydroindolo[2,3-b]carbazole?
5-cyclohexa-1,5-dien-1-yl-7-[3-[4-cyclohexyl-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]cyclohexen-1-yl]-3,4,4a,6a,7a,8,9,10,11,11a,11b,12,12a,12b-tetradecahydroindolo[2,3-b]carbazole has a molecular weight of 760.21 g/mol, XLogP of 11.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,5-dien-1-yl-7-[3-[4-cyclohexyl-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]cyclohexen-1-yl]-3,4,4a,6a,7a,8,9,10,11,11a,11b,12,12a,12b-tetradecahydroindolo[2,3-b]carbazole is sourced from PubChem (CID 134442815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).