7-cyclohexyl-5-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole

C45H77N5 — CID 121390028

IUPAC7-cyclohexyl-5-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole
SMILESC1CCC(C2NC(C3CCCCC3)NC(C3CCC(N4C5CCCCC5C5CC6C7CCCCC7N(C7CCCCC7)C6CC54)CC3)N2)CC1
InChIInChI=1S/C45H77N5/c1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-26-34(27-25-32)50-40-23-13-11-21-36(40)38-28-37-35-20-10-12-22-39(35)49(41(37)29-42(38)50)33-18-8-3-9-19-33/h30-48H,1-29H2
InChIKeyOLLUPLHCLZWMTR-UHFFFAOYSA-N
MW688.15 g/mol
LogP9.31
Rot. Bonds5

About 7-cyclohexyl-5-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole

7-cyclohexyl-5-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole (PubChem CID 121390028) has the molecular formula C45H77N5 and a molecular weight of 688.15 g/mol. Its IUPAC name is 7-cyclohexyl-5-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-cyclohexyl-5-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole
PubChem CID121390028
Molecular FormulaC45H77N5
Molecular Weight688.15 g/mol
Exact Mass687.62
IUPAC Name7-cyclohexyl-5-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole
SMILESC1CCC(C2NC(C3CCCCC3)NC(C3CCC(N4C5CCCCC5C5CC6C7CCCCC7N(C7CCCCC7)C6CC54)CC3)N2)CC1
InChIInChI=1S/C45H77N5/c1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-26-34(27-25-32)50-40-23-13-11-21-36(40)38-28-37-35-20-10-12-22-39(35)49(41(37)29-42(38)50)33-18-8-3-9-19-33/h30-48H,1-29H2
InChIKeyOLLUPLHCLZWMTR-UHFFFAOYSA-N
XLogP9.31
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.15
LogP ≤ 59.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-cyclohexyl-5-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-5-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole?
The IUPAC name of 7-cyclohexyl-5-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole (CID 121390028) is 7-cyclohexyl-5-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole.
What is the SMILES notation for 7-cyclohexyl-5-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole?
The canonical SMILES for 7-cyclohexyl-5-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole is C1CCC(C2NC(C3CCCCC3)NC(C3CCC(N4C5CCCCC5C5CC6C7CCCCC7N(C7CCCCC7)C6CC54)CC3)N2)CC1.
What is the InChIKey of 7-cyclohexyl-5-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole?
The InChIKey is OLLUPLHCLZWMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H77N5/c1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-26-34(27-25-32)50-40-23-13-11-21-36(40)38-28-37-35-20-10-12-22-39(35)49(41(37)29-42(38)50)33-18-8-3-9-19-33/h30-48H,1-29H2.
What are the key properties of 7-cyclohexyl-5-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole?
7-cyclohexyl-5-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole has a molecular weight of 688.15 g/mol, XLogP of 9.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-5-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole is sourced from PubChem (CID 121390028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).