14-(4-dibenzofuran-2-ylquinazolin-2-yl)-4,5-diphenyl-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),3,7,9,11,15,17,19-nonaene

C49H29N5O — CID 164589197

About 14-(4-dibenzofuran-2-ylquinazolin-2-yl)-4,5-diphenyl-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),3,7,9,11,15,17,19-nonaene

14-(4-dibenzofuran-2-ylquinazolin-2-yl)-4,5-diphenyl-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),3,7,9,11,15,17,19-nonaene (PubChem CID 164589197) has the molecular formula C49H29N5O and a molecular weight of 703.81 g/mol. Its IUPAC name is 14-(4-dibenzofuran-2-ylquinazolin-2-yl)-4,5-diphenyl-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),3,7,9,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14-(4-dibenzofuran-2-ylquinazolin-2-yl)-4,5-diphenyl-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),3,7,9,11,15,17,19-nonaene
• PubChem CID: 164589197
• Molecular Formula: C49H29N5O
• Molecular Weight: 703.81 g/mol
• Exact Mass: 703.24
• IUPAC Name: 14-(4-dibenzofuran-2-ylquinazolin-2-yl)-4,5-diphenyl-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),3,7,9,11,15,17,19-nonaene
• SMILES: c1ccc(-c2nc3c4c5ccccc5n(-c5nc(-c6ccc7oc8ccccc8c7c6)c6ccccc6n5)c4c4ccccc4c3n2-c2ccccc2)cc1
• InChI: InChI=1S/C49H29N5O/c1-3-15-30(16-4-1)48-51-45-43-37-23-10-13-25-40(37)54(46(43)34-20-7-8-21-35(34)47(45)53(48)32-17-5-2-6-18-32)49-50-39-24-12-9-22-36(39)44(52-49)31-27-28-42-38(29-31)33-19-11-14-26-41(33)55-42/h1-29H
• InChIKey: RJSRYKGRCXRZOH-UHFFFAOYSA-N
• XLogP: 12.45
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.81
LogP ≤ 5	12.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 14-(4-dibenzofuran-2-ylquinazolin-2-yl)-4,5-diphenyl-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),3,7,9,11,15,17,19-nonaene?

The IUPAC name of 14-(4-dibenzofuran-2-ylquinazolin-2-yl)-4,5-diphenyl-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),3,7,9,11,15,17,19-nonaene (CID 164589197) is 14-(4-dibenzofuran-2-ylquinazolin-2-yl)-4,5-diphenyl-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),3,7,9,11,15,17,19-nonaene.

What is the SMILES notation for 14-(4-dibenzofuran-2-ylquinazolin-2-yl)-4,5-diphenyl-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),3,7,9,11,15,17,19-nonaene?

The canonical SMILES for 14-(4-dibenzofuran-2-ylquinazolin-2-yl)-4,5-diphenyl-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),3,7,9,11,15,17,19-nonaene is c1ccc(-c2nc3c4c5ccccc5n(-c5nc(-c6ccc7oc8ccccc8c7c6)c6ccccc6n5)c4c4ccccc4c3n2-c2ccccc2)cc1.

What is the InChIKey of 14-(4-dibenzofuran-2-ylquinazolin-2-yl)-4,5-diphenyl-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),3,7,9,11,15,17,19-nonaene?

The InChIKey is RJSRYKGRCXRZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N5O/c1-3-15-30(16-4-1)48-51-45-43-37-23-10-13-25-40(37)54(46(43)34-20-7-8-21-35(34)47(45)53(48)32-17-5-2-6-18-32)49-50-39-24-12-9-22-36(39)44(52-49)31-27-28-42-38(29-31)33-19-11-14-26-41(33)55-42/h1-29H.

What are the key properties of 14-(4-dibenzofuran-2-ylquinazolin-2-yl)-4,5-diphenyl-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),3,7,9,11,15,17,19-nonaene?

14-(4-dibenzofuran-2-ylquinazolin-2-yl)-4,5-diphenyl-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),3,7,9,11,15,17,19-nonaene has a molecular weight of 703.81 g/mol, XLogP of 12.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(4-dibenzofuran-2-ylquinazolin-2-yl)-4,5-diphenyl-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),3,7,9,11,15,17,19-nonaene is sourced from PubChem (CID 164589197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).