12-[2,4-bis(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(2,4-diphenylquinazolin-6-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C144H91N9 — CID 159731421

About 12-[2,4-bis(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(2,4-diphenylquinazolin-6-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12-[2,4-bis(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(2,4-diphenylquinazolin-6-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 159731421) has the molecular formula C144H91N9 and a molecular weight of 1947.38 g/mol. Its IUPAC name is 12-[2,4-bis(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(2,4-diphenylquinazolin-6-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 12-[2,4-bis(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(2,4-diphenylquinazolin-6-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 159731421
• Molecular Formula: C144H91N9
• Molecular Weight: 1947.38 g/mol
• Exact Mass: 1945.74
• IUPAC Name: 12-[2,4-bis(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(2,4-diphenylquinazolin-6-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)ccc4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)ccc4n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)ccc3n2)cc1
• InChI: InChI=1S/2C52H33N3.C40H25N3/c1-3-12-34(13-4-1)36-22-24-39(25-23-36)52-53-46-29-28-42(33-45(46)51(54-52)41-19-11-18-40(32-41)35-14-5-2-6-15-35)55-47-30-26-37-16-7-9-20-43(37)49(47)50-44-21-10-8-17-38(44)27-31-48(50)55;1-3-11-34(12-4-1)36-19-23-40(24-20-36)51-45-33-42(29-30-46(45)53-52(54-51)41-25-21-37(22-26-41)35-13-5-2-6-14-35)55-47-31-27-38-15-7-9-17-43(38)49(47)50-44-18-10-8-16-39(44)28-32-48(50)55;1-3-13-28(14-4-1)39-33-25-30(21-22-34(33)41-40(42-39)29-15-5-2-6-16-29)43-35-23-19-26-11-7-9-17-31(26)37(35)38-32-18-10-8-12-27(32)20-24-36(38)43/h2*1-33H;1-25H
• InChIKey: NBGYEMQLYHLRJZ-UHFFFAOYSA-N
• XLogP: 37.77
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1947.38
LogP ≤ 5	37.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 12-[2,4-bis(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(2,4-diphenylquinazolin-6-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 12-[2,4-bis(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(2,4-diphenylquinazolin-6-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 159731421) is 12-[2,4-bis(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(2,4-diphenylquinazolin-6-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 12-[2,4-bis(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(2,4-diphenylquinazolin-6-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 12-[2,4-bis(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(2,4-diphenylquinazolin-6-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)ccc4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)ccc4n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)ccc3n2)cc1.

What is the InChIKey of 12-[2,4-bis(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(2,4-diphenylquinazolin-6-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is NBGYEMQLYHLRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H33N3.C40H25N3/c1-3-12-34(13-4-1)36-22-24-39(25-23-36)52-53-46-29-28-42(33-45(46)51(54-52)41-19-11-18-40(32-41)35-14-5-2-6-15-35)55-47-30-26-37-16-7-9-20-43(37)49(47)50-44-21-10-8-17-38(44)27-31-48(50)55;1-3-11-34(12-4-1)36-19-23-40(24-20-36)51-45-33-42(29-30-46(45)53-52(54-51)41-25-21-37(22-26-41)35-13-5-2-6-14-35)55-47-31-27-38-15-7-9-17-43(38)49(47)50-44-18-10-8-16-39(44)28-32-48(50)55;1-3-13-28(14-4-1)39-33-25-30(21-22-34(33)41-40(42-39)29-15-5-2-6-16-29)43-35-23-19-26-11-7-9-17-31(26)37(35)38-32-18-10-8-12-27(32)20-24-36(38)43/h2*1-33H;1-25H.

What are the key properties of 12-[2,4-bis(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(2,4-diphenylquinazolin-6-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

12-[2,4-bis(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(2,4-diphenylquinazolin-6-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 1947.38 g/mol, XLogP of 37.77, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[2,4-bis(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(2,4-diphenylquinazolin-6-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 159731421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).