20-phenyl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

C43H27N5 — CID 138639575

About 20-phenyl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

20-phenyl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (PubChem CID 138639575) has the molecular formula C43H27N5 and a molecular weight of 613.72 g/mol. Its IUPAC name is 20-phenyl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.

Molecular Properties

• Compound Name: 20-phenyl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
• PubChem CID: 138639575
• Molecular Formula: C43H27N5
• Molecular Weight: 613.72 g/mol
• Exact Mass: 613.23
• IUPAC Name: 20-phenyl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
• SMILES: c1ccc(-c2ccc(-c3nc(-n4c5cc6c7ccccc7n(-c7ccccc7)c6cc5c5cccnc54)nc4ccccc34)cc2)cc1
• InChI: InChI=1S/C43H27N5/c1-3-12-28(13-4-1)29-21-23-30(24-22-29)41-34-17-7-9-19-37(34)45-43(46-41)48-40-26-35-32-16-8-10-20-38(32)47(31-14-5-2-6-15-31)39(35)27-36(40)33-18-11-25-44-42(33)48/h1-27H
• InChIKey: QBMRKPGSGMZGQY-UHFFFAOYSA-N
• XLogP: 10.55
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.72
LogP ≤ 5	10.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 20-phenyl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?

The IUPAC name of 20-phenyl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (CID 138639575) is 20-phenyl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.

What is the SMILES notation for 20-phenyl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?

The canonical SMILES for 20-phenyl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is c1ccc(-c2ccc(-c3nc(-n4c5cc6c7ccccc7n(-c7ccccc7)c6cc5c5cccnc54)nc4ccccc34)cc2)cc1.

What is the InChIKey of 20-phenyl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?

The InChIKey is QBMRKPGSGMZGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5/c1-3-12-28(13-4-1)29-21-23-30(24-22-29)41-34-17-7-9-19-37(34)45-43(46-41)48-40-26-35-32-16-8-10-20-38(32)47(31-14-5-2-6-15-31)39(35)27-36(40)33-18-11-25-44-42(33)48/h1-27H.

What are the key properties of 20-phenyl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?

20-phenyl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene has a molecular weight of 613.72 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 20-phenyl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is sourced from PubChem (CID 138639575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).