10-[4-[6-[4-(9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-10-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-3-yl]cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridine

C54H91N3 — CID 140807171

About 10-[4-[6-[4-(9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-10-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-3-yl]cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridine

10-[4-[6-[4-(9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-10-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-3-yl]cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridine (PubChem CID 140807171) has the molecular formula C54H91N3 and a molecular weight of 782.34 g/mol. Its IUPAC name is 10-[4-[6-[4-(9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-10-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-3-yl]cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridine.

Molecular Properties

• Compound Name: 10-[4-[6-[4-(9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-10-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-3-yl]cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridine
• PubChem CID: 140807171
• Molecular Formula: C54H91N3
• Molecular Weight: 782.34 g/mol
• Exact Mass: 781.72
• IUPAC Name: 10-[4-[6-[4-(9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-10-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-3-yl]cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridine
• SMILES: CC1(C)C2CCCCC2N(C2CCC(C3CCC4NC5CCC(C6CCC(N7C8CCCCC8C(C)(C)C8CCCCC87)CC6)CC5C4C3)CC2)C2CCCCC21
• InChI: InChI=1S/C54H91N3/c1-53(2)43-13-5-9-17-49(43)56(50-18-10-6-14-44(50)53)39-27-21-35(22-28-39)37-25-31-47-41(33-37)42-34-38(26-32-48(42)55-47)36-23-29-40(30-24-36)57-51-19-11-7-15-45(51)54(3,4)46-16-8-12-20-52(46)57/h35-52,55H,5-34H2,1-4H3
• InChIKey: LDUAZGSATJFVFO-UHFFFAOYSA-N
• XLogP: 13.20
• TPSA: 18.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.34
LogP ≤ 5	13.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10-[4-[6-[4-(9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-10-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-3-yl]cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridine?

The IUPAC name of 10-[4-[6-[4-(9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-10-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-3-yl]cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridine (CID 140807171) is 10-[4-[6-[4-(9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-10-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-3-yl]cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridine.

What is the SMILES notation for 10-[4-[6-[4-(9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-10-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-3-yl]cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridine?

The canonical SMILES for 10-[4-[6-[4-(9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-10-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-3-yl]cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridine is CC1(C)C2CCCCC2N(C2CCC(C3CCC4NC5CCC(C6CCC(N7C8CCCCC8C(C)(C)C8CCCCC87)CC6)CC5C4C3)CC2)C2CCCCC21.

What is the InChIKey of 10-[4-[6-[4-(9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-10-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-3-yl]cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridine?

The InChIKey is LDUAZGSATJFVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H91N3/c1-53(2)43-13-5-9-17-49(43)56(50-18-10-6-14-44(50)53)39-27-21-35(22-28-39)37-25-31-47-41(33-37)42-34-38(26-32-48(42)55-47)36-23-29-40(30-24-36)57-51-19-11-7-15-45(51)54(3,4)46-16-8-12-20-52(46)57/h35-52,55H,5-34H2,1-4H3.

What are the key properties of 10-[4-[6-[4-(9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-10-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-3-yl]cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridine?

10-[4-[6-[4-(9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-10-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-3-yl]cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridine has a molecular weight of 782.34 g/mol, XLogP of 13.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[6-[4-(9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-10-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-3-yl]cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridine is sourced from PubChem (CID 140807171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).