11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene

C48H30N4 — CID 144645582

About 11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene

11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene (PubChem CID 144645582) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene.

Molecular Properties

• Compound Name: 11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
• PubChem CID: 144645582
• Molecular Formula: C48H30N4
• Molecular Weight: 662.80 g/mol
• Exact Mass: 662.25
• IUPAC Name: 11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
• SMILES: c1ccc(-n2ccc3cc4c5c6ccccc6ccc5n(-c5nc(-c6ccc(-c7cccc8ccccc78)cc6)c6ccccc6n5)c4cc32)cc1
• InChI: InChI=1S/C48H30N4/c1-2-14-36(15-3-1)51-28-27-35-29-41-45(30-44(35)51)52(43-26-25-32-12-5-7-17-39(32)46(41)43)48-49-42-20-9-8-18-40(42)47(50-48)34-23-21-33(22-24-34)38-19-10-13-31-11-4-6-16-37(31)38/h1-30H
• InChIKey: ZWEAOBJNKXRSBR-UHFFFAOYSA-N
• XLogP: 12.31
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.80
LogP ≤ 5	12.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?

The IUPAC name of 11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene (CID 144645582) is 11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene.

What is the SMILES notation for 11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?

The canonical SMILES for 11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene is c1ccc(-n2ccc3cc4c5c6ccccc6ccc5n(-c5nc(-c6ccc(-c7cccc8ccccc78)cc6)c6ccccc6n5)c4cc32)cc1.

What is the InChIKey of 11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?

The InChIKey is ZWEAOBJNKXRSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-2-14-36(15-3-1)51-28-27-35-29-41-45(30-44(35)51)52(43-26-25-32-12-5-7-17-39(32)46(41)43)48-49-42-20-9-8-18-40(42)47(50-48)34-23-21-33(22-24-34)38-19-10-13-31-11-4-6-16-37(31)38/h1-30H.

What are the key properties of 11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?

11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene has a molecular weight of 662.80 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene is sourced from PubChem (CID 144645582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).