9-phenyl-14-[5-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[7-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[8-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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

C144H90N12 — CID 161163997

About 9-phenyl-14-[5-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[7-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[8-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[5-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[7-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[8-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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 161163997) has the molecular formula C144H90N12 and a molecular weight of 1988.39 g/mol. Its IUPAC name is 9-phenyl-14-[5-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[7-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[8-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[5-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[7-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[8-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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: 161163997
• Molecular Formula: C144H90N12
• Molecular Weight: 1988.39 g/mol
• Exact Mass: 1986.74
• IUPAC Name: 9-phenyl-14-[5-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[7-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[8-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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(-c2nc(-c3ccc4ccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)cc4c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)ccc34)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc4ccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)cc34)nc3ccccc23)cc1
• InChI: InChI=1S/3C48H30N4/c1-3-14-32(15-4-1)47-36-19-7-10-23-40(36)49-48(50-47)35-22-13-16-31-26-27-34(30-39(31)35)52-42-25-12-9-21-38(42)46-44(52)29-28-43-45(46)37-20-8-11-24-41(37)51(43)33-17-5-2-6-18-33;1-3-14-31(15-4-1)47-37-19-7-10-23-40(37)49-48(50-47)36-22-13-16-32-30-34(26-27-35(32)36)52-42-25-12-9-21-39(42)46-44(52)29-28-43-45(46)38-20-8-11-24-41(38)51(43)33-17-5-2-6-18-33;1-3-13-32(14-4-1)47-37-17-7-10-20-40(37)49-48(50-47)33-24-23-31-25-26-36(30-34(31)29-33)52-42-22-12-9-19-39(42)46-44(52)28-27-43-45(46)38-18-8-11-21-41(38)51(43)35-15-5-2-6-16-35/h3*1-30H
• InChIKey: UQHAMMLCKRNZJD-UHFFFAOYSA-N
• XLogP: 36.93
• TPSA: 106.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1988.39
LogP ≤ 5	36.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-14-[5-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[7-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[8-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[5-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[7-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[8-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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 161163997) is 9-phenyl-14-[5-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[7-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[8-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[5-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[7-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[8-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[5-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[7-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[8-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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(-c2nc(-c3ccc4ccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)cc4c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)ccc34)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc4ccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)cc34)nc3ccccc23)cc1.

What is the InChIKey of 9-phenyl-14-[5-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[7-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[8-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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 UQHAMMLCKRNZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H30N4/c1-3-14-32(15-4-1)47-36-19-7-10-23-40(36)49-48(50-47)35-22-13-16-31-26-27-34(30-39(31)35)52-42-25-12-9-21-38(42)46-44(52)29-28-43-45(46)37-20-8-11-24-41(37)51(43)33-17-5-2-6-18-33;1-3-14-31(15-4-1)47-37-19-7-10-23-40(37)49-48(50-47)36-22-13-16-32-30-34(26-27-35(32)36)52-42-25-12-9-21-39(42)46-44(52)29-28-43-45(46)38-20-8-11-24-41(38)51(43)33-17-5-2-6-18-33;1-3-13-32(14-4-1)47-37-17-7-10-20-40(37)49-48(50-47)33-24-23-31-25-26-36(30-34(31)29-33)52-42-22-12-9-19-39(42)46-44(52)28-27-43-45(46)38-18-8-11-21-41(38)51(43)35-15-5-2-6-16-35/h3*1-30H.

What are the key properties of 9-phenyl-14-[5-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[7-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[8-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[5-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[7-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[8-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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 1988.39 g/mol, XLogP of 36.93, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-14-[5-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[7-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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-phenyl-14-[8-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-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 161163997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).