12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C46H30N2 — CID 155465610

About 12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 155465610) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• PubChem CID: 155465610
• Molecular Formula: C46H30N2
• Molecular Weight: 610.76 g/mol
• Exact Mass: 610.24
• IUPAC Name: 12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• SMILES: c1ccc(-c2ccccc2-c2cccc(-n3c4ccccc4c4cc5c6ccc7ccccc7c6n(-c6ccccc6)c5cc43)c2)cc1
• InChI: InChI=1S/C46H30N2/c1-3-14-31(15-4-1)36-21-9-10-22-37(36)33-17-13-20-35(28-33)47-43-25-12-11-24-39(43)41-29-42-40-27-26-32-16-7-8-23-38(32)46(40)48(45(42)30-44(41)47)34-18-5-2-6-19-34/h1-30H
• InChIKey: NJNFCIPFBUVAFJ-UHFFFAOYSA-N
• XLogP: 12.37
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.76
LogP ≤ 5	12.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The IUPAC name of 12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 155465610) is 12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

What is the SMILES notation for 12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The canonical SMILES for 12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1ccc(-c2ccccc2-c2cccc(-n3c4ccccc4c4cc5c6ccc7ccccc7c6n(-c6ccccc6)c5cc43)c2)cc1.

What is the InChIKey of 12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The InChIKey is NJNFCIPFBUVAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-3-14-31(15-4-1)36-21-9-10-22-37(36)33-17-13-20-35(28-33)47-43-25-12-11-24-39(43)41-29-42-40-27-26-32-16-7-8-23-38(32)46(40)48(45(42)30-44(41)47)34-18-5-2-6-19-34/h1-30H.

What are the key properties of 12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 610.76 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 155465610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).