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

C74H126N6 — CID 140888636

IUPAC11,12-bis[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12a-octadecahydroindolo[2,3-a]carbazole
SMILESC1CCC(C2CC(C3CCC(C4CCC(N5C6CCCCC6C6CCC7C8CCCCC8N(C8CCC(C9CCC(C%10CC(C%11CCCCC%11)NC(C%11CCCCC%11)N%10)CC9)CC8)C7C65)CC4)CC3)NC(C3CCCCC3)N2)CC1
InChIInChI=1S/C74H126N6/c1-5-17-53(18-6-1)65-47-67(77-73(75-65)57-21-9-3-10-22-57)55-33-29-49(30-34-55)51-37-41-59(42-38-51)79-69-27-15-13-25-61(69)63-45-46-64-62-26-14-16-28-70(62)80(72(64)71(63)79)60-43-39-52(40-44-60)50-31-35-56(36-32-50)68-48-66(54-19-7-2-8-20-54)76-74(78-68)58-23-11-4-12-24-58/h49-78H,1-48H2
InChIKeyWBFRSKRHRLZLFT-UHFFFAOYSA-N
MW1099.86 g/mol
LogP16.84
Rot. Bonds10

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

11,12-bis[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12a-octadecahydroindolo[2,3-a]carbazole (PubChem CID 140888636) has the molecular formula C74H126N6 and a molecular weight of 1099.86 g/mol. Its IUPAC name is 11,12-bis[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12a-octadecahydroindolo[2,3-a]carbazole.

Molecular Properties

Compound Name11,12-bis[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12a-octadecahydroindolo[2,3-a]carbazole
PubChem CID140888636
Molecular FormulaC74H126N6
Molecular Weight1099.86 g/mol
Exact Mass1099.00
IUPAC Name11,12-bis[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12a-octadecahydroindolo[2,3-a]carbazole
SMILESC1CCC(C2CC(C3CCC(C4CCC(N5C6CCCCC6C6CCC7C8CCCCC8N(C8CCC(C9CCC(C%10CC(C%11CCCCC%11)NC(C%11CCCCC%11)N%10)CC9)CC8)C7C65)CC4)CC3)NC(C3CCCCC3)N2)CC1
InChIInChI=1S/C74H126N6/c1-5-17-53(18-6-1)65-47-67(77-73(75-65)57-21-9-3-10-22-57)55-33-29-49(30-34-55)51-37-41-59(42-38-51)79-69-27-15-13-25-61(69)63-45-46-64-62-26-14-16-28-70(62)80(72(64)71(63)79)60-43-39-52(40-44-60)50-31-35-56(36-32-50)68-48-66(54-19-7-2-8-20-54)76-74(78-68)58-23-11-4-12-24-58/h49-78H,1-48H2
InChIKeyWBFRSKRHRLZLFT-UHFFFAOYSA-N
XLogP16.84
TPSA54.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001099.86
LogP ≤ 516.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
2-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-9-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 118228717
2,3,4-tris(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-9-cyclohexyl-1-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 153488855
2,4-bis[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-5-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexane-1-carbonitrile
CID 176835547
5-[9-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-7,7-dimethyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindeno[2,1-b]carbazole
CID 140888885
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
11-[5-(2-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-2-yl]-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydrobenzo[a]carbazole
CID 171754349
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
3-[9-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(4,6-dicyclohexylpiperidin-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;3-[9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(2,6-dicyclohexylpiperidin-4-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 161395796
9-cyclohexyl-7-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indole
CID 118587293
(4aR)-2-[(2R,4R)-4-[4-[4-[(4aS,4bR,7R,8aR)-7-cyclohexyl-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]cyclohexyl]cyclohexyl]-6-cyclohexyl-1,3-diazinan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 168797194

Frequently Asked Questions

What is the IUPAC name of 11,12-bis[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12a-octadecahydroindolo[2,3-a]carbazole?
The IUPAC name of 11,12-bis[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12a-octadecahydroindolo[2,3-a]carbazole (CID 140888636) is 11,12-bis[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12a-octadecahydroindolo[2,3-a]carbazole.
What is the SMILES notation for 11,12-bis[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12a-octadecahydroindolo[2,3-a]carbazole?
The canonical SMILES for 11,12-bis[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12a-octadecahydroindolo[2,3-a]carbazole is C1CCC(C2CC(C3CCC(C4CCC(N5C6CCCCC6C6CCC7C8CCCCC8N(C8CCC(C9CCC(C%10CC(C%11CCCCC%11)NC(C%11CCCCC%11)N%10)CC9)CC8)C7C65)CC4)CC3)NC(C3CCCCC3)N2)CC1.
What is the InChIKey of 11,12-bis[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12a-octadecahydroindolo[2,3-a]carbazole?
The InChIKey is WBFRSKRHRLZLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H126N6/c1-5-17-53(18-6-1)65-47-67(77-73(75-65)57-21-9-3-10-22-57)55-33-29-49(30-34-55)51-37-41-59(42-38-51)79-69-27-15-13-25-61(69)63-45-46-64-62-26-14-16-28-70(62)80(72(64)71(63)79)60-43-39-52(40-44-60)50-31-35-56(36-32-50)68-48-66(54-19-7-2-8-20-54)76-74(78-68)58-23-11-4-12-24-58/h49-78H,1-48H2.
What are the key properties of 11,12-bis[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12a-octadecahydroindolo[2,3-a]carbazole?
11,12-bis[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12a-octadecahydroindolo[2,3-a]carbazole has a molecular weight of 1099.86 g/mol, XLogP of 16.84, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-bis[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12a-octadecahydroindolo[2,3-a]carbazole is sourced from PubChem (CID 140888636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).