12-[4-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-6-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-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

C114H72N6 — CID 157414199

About 12-[4-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-6-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-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-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-6-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-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 157414199) has the molecular formula C114H72N6 and a molecular weight of 1525.87 g/mol. Its IUPAC name is 12-[4-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-6-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-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-[4-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-6-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-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: 157414199
• Molecular Formula: C114H72N6
• Molecular Weight: 1525.87 g/mol
• Exact Mass: 1524.58
• IUPAC Name: 12-[4-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-6-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-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(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc(-n5c6ccc7ccccc7c6c6c7ccc(-c8ccccc8)cc7ccc65)cc4)nc4ccccc34)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7c(-c7cccc8ccccc78)cc65)cc4)nc4ccccc34)cc2)cc1
• InChI: InChI=1S/C58H37N3.C56H35N3/c1-4-14-38(15-5-1)43-26-31-50-44(34-43)28-33-54-56(50)55-49-21-11-10-20-41(49)27-32-53(55)61(54)48-29-24-42(25-30-48)58-59-52-23-13-12-22-51(52)57(60-58)47-36-45(39-16-6-2-7-17-39)35-46(37-47)40-18-8-3-9-19-40;1-2-13-36(14-3-1)37-25-27-40(28-26-37)55-48-22-10-11-24-50(48)57-56(58-55)41-29-32-42(33-30-41)59-51-34-31-39-16-5-7-19-44(39)53(51)54-47-21-9-8-20-46(47)49(35-52(54)59)45-23-12-17-38-15-4-6-18-43(38)45/h1-37H;1-35H
• InChIKey: BOQLSILAEBANHC-UHFFFAOYSA-N
• XLogP: 30.22
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1525.87
LogP ≤ 5	30.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-[4-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-6-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-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-[4-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-6-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-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 157414199) is 12-[4-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-6-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-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-[4-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-6-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-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-[4-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-6-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-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(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc(-n5c6ccc7ccccc7c6c6c7ccc(-c8ccccc8)cc7ccc65)cc4)nc4ccccc34)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7c(-c7cccc8ccccc78)cc65)cc4)nc4ccccc34)cc2)cc1.

What is the InChIKey of 12-[4-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-6-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-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 BOQLSILAEBANHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3.C56H35N3/c1-4-14-38(15-5-1)43-26-31-50-44(34-43)28-33-54-56(50)55-49-21-11-10-20-41(49)27-32-53(55)61(54)48-29-24-42(25-30-48)58-59-52-23-13-12-22-51(52)57(60-58)47-36-45(39-16-6-2-7-17-39)35-46(37-47)40-18-8-3-9-19-40;1-2-13-36(14-3-1)37-25-27-40(28-26-37)55-48-22-10-11-24-50(48)57-56(58-55)41-29-32-42(33-30-41)59-51-34-31-39-16-5-7-19-44(39)53(51)54-47-21-9-8-20-46(47)49(35-52(54)59)45-23-12-17-38-15-4-6-18-43(38)45/h1-37H;1-35H.

What are the key properties of 12-[4-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-6-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-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-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-6-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-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 1525.87 g/mol, XLogP of 30.22, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-6-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-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 157414199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).