2-(3-chlorophenyl)-4-phenylquinazoline;9-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-phenyl-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

C88H57ClN8 — CID 159353225

About 2-(3-chlorophenyl)-4-phenylquinazoline;9-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-phenyl-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

2-(3-chlorophenyl)-4-phenylquinazoline;9-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-phenyl-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 159353225) has the molecular formula C88H57ClN8 and a molecular weight of 1261.93 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-phenylquinazoline;9-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-phenyl-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: 2-(3-chlorophenyl)-4-phenylquinazoline;9-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-phenyl-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: 159353225
• Molecular Formula: C88H57ClN8
• Molecular Weight: 1261.93 g/mol
• Exact Mass: 1260.44
• IUPAC Name: 2-(3-chlorophenyl)-4-phenylquinazoline;9-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-phenyl-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: Clc1cccc(-c2nc(-c3ccccc3)c3ccccc3n2)c1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)c3)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)[nH]c2ccccc24)cc1
• InChI: InChI=1S/C44H28N4.C24H16N2.C20H13ClN2/c1-3-14-29(15-4-1)43-33-20-7-10-23-36(33)45-44(46-43)30-16-13-19-32(28-30)48-38-25-12-9-22-35(38)42-40(48)27-26-39-41(42)34-21-8-11-24-37(34)47(39)31-17-5-2-6-18-31;1-2-8-16(9-3-1)26-21-13-7-5-11-18(21)24-22(26)15-14-20-23(24)17-10-4-6-12-19(17)25-20;21-16-10-6-9-15(13-16)20-22-18-12-5-4-11-17(18)19(23-20)14-7-2-1-3-8-14/h1-28H;1-15,25H;1-13H
• InChIKey: LHPBDQLEOFETCJ-UHFFFAOYSA-N
• XLogP: 23.19
• TPSA: 82.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1261.93
LogP ≤ 5	23.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-phenylquinazoline;9-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-phenyl-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 2-(3-chlorophenyl)-4-phenylquinazoline;9-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-phenyl-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 159353225) is 2-(3-chlorophenyl)-4-phenylquinazoline;9-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-phenyl-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 2-(3-chlorophenyl)-4-phenylquinazoline;9-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-phenyl-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 2-(3-chlorophenyl)-4-phenylquinazoline;9-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-phenyl-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 Clc1cccc(-c2nc(-c3ccccc3)c3ccccc3n2)c1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)c3)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)[nH]c2ccccc24)cc1.

What is the InChIKey of 2-(3-chlorophenyl)-4-phenylquinazoline;9-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-phenyl-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 LHPBDQLEOFETCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4.C24H16N2.C20H13ClN2/c1-3-14-29(15-4-1)43-33-20-7-10-23-36(33)45-44(46-43)30-16-13-19-32(28-30)48-38-25-12-9-22-35(38)42-40(48)27-26-39-41(42)34-21-8-11-24-37(34)47(39)31-17-5-2-6-18-31;1-2-8-16(9-3-1)26-21-13-7-5-11-18(21)24-22(26)15-14-20-23(24)17-10-4-6-12-19(17)25-20;21-16-10-6-9-15(13-16)20-22-18-12-5-4-11-17(18)19(23-20)14-7-2-1-3-8-14/h1-28H;1-15,25H;1-13H.

What are the key properties of 2-(3-chlorophenyl)-4-phenylquinazoline;9-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-phenyl-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?

2-(3-chlorophenyl)-4-phenylquinazoline;9-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-phenyl-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 1261.93 g/mol, XLogP of 23.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-4-phenylquinazoline;9-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-phenyl-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 159353225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).