9-[5-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)naphthalen-2-yl]-14-phenyl-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

C55H35N3 — CID 155240951

About 9-[5-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)naphthalen-2-yl]-14-phenyl-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-[5-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)naphthalen-2-yl]-14-phenyl-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 155240951) has the molecular formula C55H35N3 and a molecular weight of 737.91 g/mol. Its IUPAC name is 9-[5-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)naphthalen-2-yl]-14-phenyl-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-[5-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)naphthalen-2-yl]-14-phenyl-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: 155240951
• Molecular Formula: C55H35N3
• Molecular Weight: 737.91 g/mol
• Exact Mass: 737.28
• IUPAC Name: 9-[5-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)naphthalen-2-yl]-14-phenyl-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(-c3cccc4ccccc34)nc(-c3cccc4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)ccc34)c2)cc1
• InChI: InChI=1S/C55H35N3/c1-3-15-36(16-4-1)39-34-48(44-25-13-18-37-17-7-8-22-42(37)44)56-49(35-39)45-26-14-19-38-33-41(29-30-43(38)45)58-51-28-12-10-24-47(51)55-53(58)32-31-52-54(55)46-23-9-11-27-50(46)57(52)40-20-5-2-6-21-40/h1-35H
• InChIKey: QAOBJONNZHGJSH-UHFFFAOYSA-N
• XLogP: 14.58
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.91
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-[5-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)naphthalen-2-yl]-14-phenyl-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-[5-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)naphthalen-2-yl]-14-phenyl-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 155240951) is 9-[5-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)naphthalen-2-yl]-14-phenyl-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-[5-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)naphthalen-2-yl]-14-phenyl-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-[5-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)naphthalen-2-yl]-14-phenyl-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(-c3cccc4ccccc34)nc(-c3cccc4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)ccc34)c2)cc1.

What is the InChIKey of 9-[5-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)naphthalen-2-yl]-14-phenyl-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 QAOBJONNZHGJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3/c1-3-15-36(16-4-1)39-34-48(44-25-13-18-37-17-7-8-22-42(37)44)56-49(35-39)45-26-14-19-38-33-41(29-30-43(38)45)58-51-28-12-10-24-47(51)55-53(58)32-31-52-54(55)46-23-9-11-27-50(46)57(52)40-20-5-2-6-21-40/h1-35H.

What are the key properties of 9-[5-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)naphthalen-2-yl]-14-phenyl-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-[5-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)naphthalen-2-yl]-14-phenyl-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 737.91 g/mol, XLogP of 14.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)naphthalen-2-yl]-14-phenyl-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 155240951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).