9-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)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

C56H34N6 — CID 134509632

About 9-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)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-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)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 134509632) has the molecular formula C56H34N6 and a molecular weight of 790.93 g/mol. Its IUPAC name is 9-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)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-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)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: 134509632
• Molecular Formula: C56H34N6
• Molecular Weight: 790.93 g/mol
• Exact Mass: 790.28
• IUPAC Name: 9-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)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(-c2nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7nc(-c8ccc9ccccc9c8)c8ccccc8n7)c6ccc54)c3)nc3ccccc23)cc1
• InChI: InChI=1S/C56H34N6/c1-2-16-36(17-3-1)53-41-21-6-10-25-45(41)57-55(59-53)39-19-14-20-40(34-39)61-47-27-12-8-23-43(47)51-49(61)31-32-50-52(51)44-24-9-13-28-48(44)62(50)56-58-46-26-11-7-22-42(46)54(60-56)38-30-29-35-15-4-5-18-37(35)33-38/h1-34H
• InChIKey: DJENLSVJSATWEM-UHFFFAOYSA-N
• XLogP: 13.92
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.93
LogP ≤ 5	13.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)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-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)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 134509632) is 9-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)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-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)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-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)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(-c2nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7nc(-c8ccc9ccccc9c8)c8ccccc8n7)c6ccc54)c3)nc3ccccc23)cc1.

What is the InChIKey of 9-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)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 DJENLSVJSATWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N6/c1-2-16-36(17-3-1)53-41-21-6-10-25-45(41)57-55(59-53)39-19-14-20-40(34-39)61-47-27-12-8-23-43(47)51-49(61)31-32-50-52(51)44-24-9-13-28-48(44)62(50)56-58-46-26-11-7-22-42(46)54(60-56)38-30-29-35-15-4-5-18-37(35)33-38/h1-34H.

What are the key properties of 9-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)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-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)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 790.93 g/mol, XLogP of 13.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)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 134509632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).