8,8-dimethyl-16-(4-naphthalen-2-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene

C41H29N — CID 134509949

About 8,8-dimethyl-16-(4-naphthalen-2-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene

8,8-dimethyl-16-(4-naphthalen-2-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene (PubChem CID 134509949) has the molecular formula C41H29N and a molecular weight of 535.69 g/mol. Its IUPAC name is 8,8-dimethyl-16-(4-naphthalen-2-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene.

Molecular Properties

• Compound Name: 8,8-dimethyl-16-(4-naphthalen-2-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
• PubChem CID: 134509949
• Molecular Formula: C41H29N
• Molecular Weight: 535.69 g/mol
• Exact Mass: 535.23
• IUPAC Name: 8,8-dimethyl-16-(4-naphthalen-2-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
• SMILES: CC1(C)c2ccccc2-c2c3c1cccc3cc1c2c2ccccc2n1-c1ccc(-c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C41H29N/c1-41(2)34-15-7-5-13-32(34)40-38-30(12-9-16-35(38)41)25-37-39(40)33-14-6-8-17-36(33)42(37)31-22-20-27(21-23-31)29-19-18-26-10-3-4-11-28(26)24-29/h3-25H,1-2H3
• InChIKey: RZSJZXAAEGFURH-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.69
LogP ≤ 5	11.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-16-(4-naphthalen-2-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene?

The IUPAC name of 8,8-dimethyl-16-(4-naphthalen-2-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene (CID 134509949) is 8,8-dimethyl-16-(4-naphthalen-2-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene.

What is the SMILES notation for 8,8-dimethyl-16-(4-naphthalen-2-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene?

The canonical SMILES for 8,8-dimethyl-16-(4-naphthalen-2-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene is CC1(C)c2ccccc2-c2c3c1cccc3cc1c2c2ccccc2n1-c1ccc(-c2ccc3ccccc3c2)cc1.

What is the InChIKey of 8,8-dimethyl-16-(4-naphthalen-2-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene?

The InChIKey is RZSJZXAAEGFURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N/c1-41(2)34-15-7-5-13-32(34)40-38-30(12-9-16-35(38)41)25-37-39(40)33-14-6-8-17-36(33)42(37)31-22-20-27(21-23-31)29-19-18-26-10-3-4-11-28(26)24-29/h3-25H,1-2H3.

What are the key properties of 8,8-dimethyl-16-(4-naphthalen-2-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene?

8,8-dimethyl-16-(4-naphthalen-2-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene has a molecular weight of 535.69 g/mol, XLogP of 11.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8-dimethyl-16-(4-naphthalen-2-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene is sourced from PubChem (CID 134509949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).