N-cyclohexyl-N-[4-[6-(2-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-yl]cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-amine

C57H93N — CID 171755049

About N-cyclohexyl-N-[4-[6-(2-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-yl]cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-amine

N-cyclohexyl-N-[4-[6-(2-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-yl]cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-amine (PubChem CID 171755049) has the molecular formula C57H93N and a molecular weight of 792.38 g/mol. Its IUPAC name is N-cyclohexyl-N-[4-[6-(2-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-yl]cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-amine.

Molecular Properties

• Compound Name: N-cyclohexyl-N-[4-[6-(2-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-yl]cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-amine
• PubChem CID: 171755049
• Molecular Formula: C57H93N
• Molecular Weight: 792.38 g/mol
• Exact Mass: 791.73
• IUPAC Name: N-cyclohexyl-N-[4-[6-(2-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-yl]cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-amine
• SMILES: C1CCC(C2CC3CCCC(C4CC5CCCCC5C5CC6CC(C7CCC(N(C8CCCCC8)C8CCCC9C%10CCCCC%10CC98)CC7)CCC6C54)C3C2)CC1
• InChI: InChI=1S/C57H93N/c1-3-13-37(14-4-1)43-32-40-17-11-22-51(52(40)35-43)55-34-42-16-8-10-21-48(42)54-36-44-31-39(27-30-49(44)57(54)55)38-25-28-46(29-26-38)58(45-18-5-2-6-19-45)56-24-12-23-50-47-20-9-7-15-41(47)33-53(50)56/h37-57H,1-36H2
• InChIKey: QWBPYMQSWLCNGD-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.38
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[4-[6-(2-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-yl]cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-amine?

The IUPAC name of N-cyclohexyl-N-[4-[6-(2-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-yl]cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-amine (CID 171755049) is N-cyclohexyl-N-[4-[6-(2-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-yl]cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-amine.

What is the SMILES notation for N-cyclohexyl-N-[4-[6-(2-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-yl]cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-amine?

The canonical SMILES for N-cyclohexyl-N-[4-[6-(2-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-yl]cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-amine is C1CCC(C2CC3CCCC(C4CC5CCCCC5C5CC6CC(C7CCC(N(C8CCCCC8)C8CCCC9C%10CCCCC%10CC98)CC7)CCC6C54)C3C2)CC1.

What is the InChIKey of N-cyclohexyl-N-[4-[6-(2-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-yl]cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-amine?

The InChIKey is QWBPYMQSWLCNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H93N/c1-3-13-37(14-4-1)43-32-40-17-11-22-51(52(40)35-43)55-34-42-16-8-10-21-48(42)54-36-44-31-39(27-30-49(44)57(54)55)38-25-28-46(29-26-38)58(45-18-5-2-6-19-45)56-24-12-23-50-47-20-9-7-15-41(47)33-53(50)56/h37-57H,1-36H2.

What are the key properties of N-cyclohexyl-N-[4-[6-(2-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-yl]cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-amine?

N-cyclohexyl-N-[4-[6-(2-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-yl]cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-amine has a molecular weight of 792.38 g/mol, XLogP of 15.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-N-[4-[6-(2-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-yl]cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-amine is sourced from PubChem (CID 171755049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).