11-[4-(3,5-diphenylphenyl)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

C50H32N4 — CID 90231145

About 11-[4-(3,5-diphenylphenyl)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-(3,5-diphenylphenyl)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 90231145) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 11-[4-(3,5-diphenylphenyl)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-(3,5-diphenylphenyl)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: 90231145
• Molecular Formula: C50H32N4
• Molecular Weight: 688.83 g/mol
• Exact Mass: 688.26
• IUPAC Name: 11-[4-(3,5-diphenylphenyl)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(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5cc6c(ccn6-c6ccccc6)cc5c5c6ccccc6ccc54)nc4ccccc34)c2)cc1
• InChI: InChI=1S/C50H32N4/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-39(29-37)49-42-22-12-13-23-44(42)51-50(52-49)54-45-25-24-35-18-10-11-21-41(35)48(45)43-31-36-26-27-53(46(36)32-47(43)54)40-19-8-3-9-20-40/h1-32H
• InChIKey: IZASCZMSXMEIPX-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.83
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 11-[4-(3,5-diphenylphenyl)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-(3,5-diphenylphenyl)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 90231145) is 11-[4-(3,5-diphenylphenyl)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-(3,5-diphenylphenyl)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-(3,5-diphenylphenyl)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(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5cc6c(ccn6-c6ccccc6)cc5c5c6ccccc6ccc54)nc4ccccc34)c2)cc1.

What is the InChIKey of 11-[4-(3,5-diphenylphenyl)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 IZASCZMSXMEIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-39(29-37)49-42-22-12-13-23-44(42)51-50(52-49)54-45-25-24-35-18-10-11-21-41(35)48(45)43-31-36-26-27-53(46(36)32-47(43)54)40-19-8-3-9-20-40/h1-32H.

What are the key properties of 11-[4-(3,5-diphenylphenyl)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-(3,5-diphenylphenyl)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 688.83 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-(3,5-diphenylphenyl)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 90231145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).