9-[2-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)phenyl]-14-(2-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C57H37N3 — CID 155240258

About 9-[2-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)phenyl]-14-(2-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-[2-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)phenyl]-14-(2-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 155240258) has the molecular formula C57H37N3 and a molecular weight of 763.94 g/mol. Its IUPAC name is 9-[2-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)phenyl]-14-(2-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 9-[2-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)phenyl]-14-(2-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 155240258
• Molecular Formula: C57H37N3
• Molecular Weight: 763.94 g/mol
• Exact Mass: 763.30
• IUPAC Name: 9-[2-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)phenyl]-14-(2-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: c1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6-c6ccccc6)c5ccc43)nc(-c3cccc4ccccc34)c2)cc1
• InChI: InChI=1S/C57H37N3/c1-3-18-38(19-4-1)41-36-48(44-29-17-23-39-22-7-8-24-42(39)44)58-49(37-41)45-26-10-14-31-51(45)60-53-33-16-12-28-47(53)57-55(60)35-34-54-56(57)46-27-11-15-32-52(46)59(54)50-30-13-9-25-43(50)40-20-5-2-6-21-40/h1-37H
• InChIKey: DIMVJSLZBRZEGU-UHFFFAOYSA-N
• XLogP: 15.10
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.94
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-[2-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)phenyl]-14-(2-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 9-[2-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)phenyl]-14-(2-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 155240258) is 9-[2-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)phenyl]-14-(2-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 9-[2-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)phenyl]-14-(2-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 9-[2-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)phenyl]-14-(2-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6-c6ccccc6)c5ccc43)nc(-c3cccc4ccccc34)c2)cc1.

What is the InChIKey of 9-[2-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)phenyl]-14-(2-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is DIMVJSLZBRZEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3/c1-3-18-38(19-4-1)41-36-48(44-29-17-23-39-22-7-8-24-42(39)44)58-49(37-41)45-26-10-14-31-51(45)60-53-33-16-12-28-47(53)57-55(60)35-34-54-56(57)46-27-11-15-32-52(46)59(54)50-30-13-9-25-43(50)40-20-5-2-6-21-40/h1-37H.

What are the key properties of 9-[2-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)phenyl]-14-(2-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

9-[2-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)phenyl]-14-(2-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 763.94 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)phenyl]-14-(2-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 155240258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).