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

C44H71N — CID 171754349

About 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

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 (PubChem CID 171754349) has the molecular formula C44H71N and a molecular weight of 614.06 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 171754349
• Molecular Formula: C44H71N
• Molecular Weight: 614.06 g/mol
• Exact Mass: 613.56
• IUPAC Name: 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
• SMILES: C1CCC(C2CC3CCC(C4CCCC5CC6CC(N7C8CCCCC8C8CCC9CCCCC9C87)CCC6C54)CC3C2)CC1
• InChI: InChI=1S/C44H71N/c1-2-9-28(10-3-1)33-23-30-17-18-31(24-34(30)26-33)37-15-8-12-32-25-35-27-36(20-22-38(35)43(32)37)45-42-16-7-6-14-40(42)41-21-19-29-11-4-5-13-39(29)44(41)45/h28-44H,1-27H2
• InChIKey: DBMHBASTDRUVPC-UHFFFAOYSA-N
• XLogP: 11.69
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.06
LogP ≤ 5	11.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C1CCC(C2CC3CCC(C4CCCC5CC6CC(N7C8CCCCC8C8CCC9CCCCC9C87)CCC6C54)CC3C2)CC1.

What is the InChIKey of 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?

The InChIKey is DBMHBASTDRUVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H71N/c1-2-9-28(10-3-1)33-23-30-17-18-31(24-34(30)26-33)37-15-8-12-32-25-35-27-36(20-22-38(35)43(32)37)45-42-16-7-6-14-40(42)41-21-19-29-11-4-5-13-39(29)44(41)45/h28-44H,1-27H2.

What are the key properties of 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?

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 has a molecular weight of 614.06 g/mol, XLogP of 11.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 171754349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).