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

C62H106N6 — CID 140888618

IUPAC5,12-bis[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole
SMILESC1CCC(C2CC(C3CCC(N4C5CCCCC5C5C4CCC4C6CCCCC6N(C6CCC(C7CC(C8CCCCC8)NC(C8CCCCC8)N7)CC6)C45)CC3)NC(C3CCCCC3)N2)CC1
InChIInChI=1S/C62H106N6/c1-5-17-41(18-6-1)52-39-54(65-61(63-52)45-21-9-3-10-22-45)43-29-33-47(34-30-43)67-57-28-16-14-26-51(57)59-58(67)38-37-50-49-25-13-15-27-56(49)68(60(50)59)48-35-31-44(32-36-48)55-40-53(42-19-7-2-8-20-42)64-62(66-55)46-23-11-4-12-24-46/h41-66H,1-40H2
InChIKeyLRQKIVRTZAWESZ-UHFFFAOYSA-N
MW935.57 g/mol
LogP13.23
Rot. Bonds8

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

5,12-bis[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole (PubChem CID 140888618) has the molecular formula C62H106N6 and a molecular weight of 935.57 g/mol. Its IUPAC name is 5,12-bis[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5,12-bis[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole
PubChem CID140888618
Molecular FormulaC62H106N6
Molecular Weight935.57 g/mol
Exact Mass934.85
IUPAC Name5,12-bis[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole
SMILESC1CCC(C2CC(C3CCC(N4C5CCCCC5C5C4CCC4C6CCCCC6N(C6CCC(C7CC(C8CCCCC8)NC(C8CCCCC8)N7)CC6)C45)CC3)NC(C3CCCCC3)N2)CC1
InChIInChI=1S/C62H106N6/c1-5-17-41(18-6-1)52-39-54(65-61(63-52)45-21-9-3-10-22-45)43-29-33-47(34-30-43)67-57-28-16-14-26-51(57)59-58(67)38-37-50-49-25-13-15-27-56(49)68(60(50)59)48-35-31-44(32-36-48)55-40-53(42-19-7-2-8-20-42)64-62(66-55)46-23-11-4-12-24-46/h41-66H,1-40H2
InChIKeyLRQKIVRTZAWESZ-UHFFFAOYSA-N
XLogP13.23
TPSA54.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.57
LogP ≤ 513.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 5,12-bis[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole?
The IUPAC name of 5,12-bis[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole (CID 140888618) is 5,12-bis[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole.
What is the SMILES notation for 5,12-bis[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole?
The canonical SMILES for 5,12-bis[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole is C1CCC(C2CC(C3CCC(N4C5CCCCC5C5C4CCC4C6CCCCC6N(C6CCC(C7CC(C8CCCCC8)NC(C8CCCCC8)N7)CC6)C45)CC3)NC(C3CCCCC3)N2)CC1.
What is the InChIKey of 5,12-bis[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole?
The InChIKey is LRQKIVRTZAWESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H106N6/c1-5-17-41(18-6-1)52-39-54(65-61(63-52)45-21-9-3-10-22-45)43-29-33-47(34-30-43)67-57-28-16-14-26-51(57)59-58(67)38-37-50-49-25-13-15-27-56(49)68(60(50)59)48-35-31-44(32-36-48)55-40-53(42-19-7-2-8-20-42)64-62(66-55)46-23-11-4-12-24-46/h41-66H,1-40H2.
What are the key properties of 5,12-bis[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole?
5,12-bis[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole has a molecular weight of 935.57 g/mol, XLogP of 13.23, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole is sourced from PubChem (CID 140888618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).