11-[3-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-4-yl)-5-(6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-8-cyclohexyl-2,3,4,4a,5,6,6a,7,7a,8,9,10,11,11a,11b,11c-hexadecahydro-1H-benzo[c]fluorene

C58H94 — CID 167402176

About 11-[3-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-4-yl)-5-(6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-8-cyclohexyl-2,3,4,4a,5,6,6a,7,7a,8,9,10,11,11a,11b,11c-hexadecahydro-1H-benzo[c]fluorene

11-[3-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-4-yl)-5-(6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-8-cyclohexyl-2,3,4,4a,5,6,6a,7,7a,8,9,10,11,11a,11b,11c-hexadecahydro-1H-benzo[c]fluorene (PubChem CID 167402176) has the molecular formula C58H94 and a molecular weight of 791.39 g/mol. Its IUPAC name is 11-[3-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-4-yl)-5-(6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-8-cyclohexyl-2,3,4,4a,5,6,6a,7,7a,8,9,10,11,11a,11b,11c-hexadecahydro-1H-benzo[c]fluorene.

Molecular Properties

• Compound Name: 11-[3-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-4-yl)-5-(6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-8-cyclohexyl-2,3,4,4a,5,6,6a,7,7a,8,9,10,11,11a,11b,11c-hexadecahydro-1H-benzo[c]fluorene
• PubChem CID: 167402176
• Molecular Formula: C58H94
• Molecular Weight: 791.39 g/mol
• Exact Mass: 790.74
• IUPAC Name: 11-[3-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-4-yl)-5-(6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-8-cyclohexyl-2,3,4,4a,5,6,6a,7,7a,8,9,10,11,11a,11b,11c-hexadecahydro-1H-benzo[c]fluorene
• SMILES: C1CCC(C2CCC3CC(C4CC(C5CCCC6CC7CCCCC7C65)CC(C5CCC(C6CCCCC6)C6CC7CCC8CCCCC8C7C56)C4)CCC3C2)CC1
• InChI: InChI=1S/C58H94/c1-3-12-37(13-4-1)40-23-24-42-31-43(26-25-41(42)30-40)47-33-48(53-21-11-18-45-32-44-17-8-10-20-52(44)56(45)53)35-49(34-47)54-29-28-50(38-14-5-2-6-15-38)55-36-46-27-22-39-16-7-9-19-51(39)57(46)58(54)55/h37-58H,1-36H2
• InChIKey: PCBHEAFYJTVAAY-UHFFFAOYSA-N
• XLogP: 16.75
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.39
LogP ≤ 5	16.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

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

The IUPAC name of 11-[3-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-4-yl)-5-(6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-8-cyclohexyl-2,3,4,4a,5,6,6a,7,7a,8,9,10,11,11a,11b,11c-hexadecahydro-1H-benzo[c]fluorene (CID 167402176) is 11-[3-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-4-yl)-5-(6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-8-cyclohexyl-2,3,4,4a,5,6,6a,7,7a,8,9,10,11,11a,11b,11c-hexadecahydro-1H-benzo[c]fluorene.

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

The canonical SMILES for 11-[3-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-4-yl)-5-(6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-8-cyclohexyl-2,3,4,4a,5,6,6a,7,7a,8,9,10,11,11a,11b,11c-hexadecahydro-1H-benzo[c]fluorene is C1CCC(C2CCC3CC(C4CC(C5CCCC6CC7CCCCC7C65)CC(C5CCC(C6CCCCC6)C6CC7CCC8CCCCC8C7C56)C4)CCC3C2)CC1.

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

The InChIKey is PCBHEAFYJTVAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H94/c1-3-12-37(13-4-1)40-23-24-42-31-43(26-25-41(42)30-40)47-33-48(53-21-11-18-45-32-44-17-8-10-20-52(44)56(45)53)35-49(34-47)54-29-28-50(38-14-5-2-6-15-38)55-36-46-27-22-39-16-7-9-19-51(39)57(46)58(54)55/h37-58H,1-36H2.

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

11-[3-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-4-yl)-5-(6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-8-cyclohexyl-2,3,4,4a,5,6,6a,7,7a,8,9,10,11,11a,11b,11c-hexadecahydro-1H-benzo[c]fluorene has a molecular weight of 791.39 g/mol, XLogP of 16.75, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-4-yl)-5-(6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-8-cyclohexyl-2,3,4,4a,5,6,6a,7,7a,8,9,10,11,11a,11b,11c-hexadecahydro-1H-benzo[c]fluorene is sourced from PubChem (CID 167402176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).