9-(3,5-diphenylphenyl)-22,22-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene

C43H31N — CID 122464753

About 9-(3,5-diphenylphenyl)-22,22-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene

9-(3,5-diphenylphenyl)-22,22-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene (PubChem CID 122464753) has the molecular formula C43H31N and a molecular weight of 561.73 g/mol. Its IUPAC name is 9-(3,5-diphenylphenyl)-22,22-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene.

Molecular Properties

• Compound Name: 9-(3,5-diphenylphenyl)-22,22-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
• PubChem CID: 122464753
• Molecular Formula: C43H31N
• Molecular Weight: 561.73 g/mol
• Exact Mass: 561.25
• IUPAC Name: 9-(3,5-diphenylphenyl)-22,22-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
• SMILES: CC1(C)c2ccccc2-c2cc3ccc4c(c3cc21)c1ccccc1n4-c1cc(-c2ccccc2)cc(-c2ccccc2)c1
• InChI: InChI=1S/C43H31N/c1-43(2)38-19-11-9-17-34(38)37-26-30-21-22-41-42(36(30)27-39(37)43)35-18-10-12-20-40(35)44(41)33-24-31(28-13-5-3-6-14-28)23-32(25-33)29-15-7-4-8-16-29/h3-27H,1-2H3
• InChIKey: DLENDFJBPJWUFJ-UHFFFAOYSA-N
• XLogP: 11.58
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.73
LogP ≤ 5	11.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-diphenylphenyl)-22,22-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene?

The IUPAC name of 9-(3,5-diphenylphenyl)-22,22-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene (CID 122464753) is 9-(3,5-diphenylphenyl)-22,22-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene.

What is the SMILES notation for 9-(3,5-diphenylphenyl)-22,22-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene?

The canonical SMILES for 9-(3,5-diphenylphenyl)-22,22-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene is CC1(C)c2ccccc2-c2cc3ccc4c(c3cc21)c1ccccc1n4-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.

What is the InChIKey of 9-(3,5-diphenylphenyl)-22,22-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene?

The InChIKey is DLENDFJBPJWUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N/c1-43(2)38-19-11-9-17-34(38)37-26-30-21-22-41-42(36(30)27-39(37)43)35-18-10-12-20-40(35)44(41)33-24-31(28-13-5-3-6-14-28)23-32(25-33)29-15-7-4-8-16-29/h3-27H,1-2H3.

What are the key properties of 9-(3,5-diphenylphenyl)-22,22-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene?

9-(3,5-diphenylphenyl)-22,22-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene has a molecular weight of 561.73 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,5-diphenylphenyl)-22,22-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 122464753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).