12-[4-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[6-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[7-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

C170H105N9 — CID 161046932

About 12-[4-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[6-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[7-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

12-[4-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[6-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[7-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (PubChem CID 161046932) has the molecular formula C170H105N9 and a molecular weight of 2273.77 g/mol. Its IUPAC name is 12-[4-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[6-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[7-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

Molecular Properties

• Compound Name: 12-[4-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[6-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[7-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
• PubChem CID: 161046932
• Molecular Formula: C170H105N9
• Molecular Weight: 2273.77 g/mol
• Exact Mass: 2271.85
• IUPAC Name: 12-[4-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[6-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[7-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6cc7ccccc7cc6c6c7ccccc7ccc65)c5ccccc45)nc4cc(-c5ccc6ccccc6c5)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6cc7ccccc7cc6c6c7ccccc7ccc65)c5ccccc45)nc4ccc(-c5ccc6ccccc6c5)cc34)cc2)cc1.c1ccc(-c2ccc3c(-c4ccccc4)nc(-c4ccc(-n5c6cc7ccccc7cc6c6c7ccccc7ccc65)c5ccccc45)nc3c2)cc1
• InChI: InChI=1S/2C60H37N3.C50H31N3/c1-2-12-38(13-3-1)40-22-25-42(26-23-40)59-52-35-47(46-27-24-39-14-4-5-16-43(39)34-46)28-31-54(52)61-60(62-59)51-30-33-55(50-21-11-10-20-49(50)51)63-56-32-29-41-15-8-9-19-48(41)58(56)53-36-44-17-6-7-18-45(44)37-57(53)63;1-2-12-38(13-3-1)40-22-25-42(26-23-40)59-52-30-28-47(46-27-24-39-14-4-5-16-43(39)34-46)36-54(52)61-60(62-59)51-31-33-55(50-21-11-10-20-49(50)51)63-56-32-29-41-15-8-9-19-48(41)58(56)53-35-44-17-6-7-18-45(44)37-57(53)63;1-3-13-32(14-4-1)37-23-25-42-44(30-37)51-50(52-49(42)34-16-5-2-6-17-34)41-26-28-45(40-22-12-11-21-39(40)41)53-46-27-24-33-15-9-10-20-38(33)48(46)43-29-35-18-7-8-19-36(35)31-47(43)53/h2*1-37H;1-31H
• InChIKey: UBPTWRTULICOJC-UHFFFAOYSA-N
• XLogP: 45.20
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2273.77
LogP ≤ 5	45.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[6-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[7-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The IUPAC name of 12-[4-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[6-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[7-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (CID 161046932) is 12-[4-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[6-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[7-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

What is the SMILES notation for 12-[4-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[6-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[7-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The canonical SMILES for 12-[4-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[6-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[7-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6cc7ccccc7cc6c6c7ccccc7ccc65)c5ccccc45)nc4cc(-c5ccc6ccccc6c5)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6cc7ccccc7cc6c6c7ccccc7ccc65)c5ccccc45)nc4ccc(-c5ccc6ccccc6c5)cc34)cc2)cc1.c1ccc(-c2ccc3c(-c4ccccc4)nc(-c4ccc(-n5c6cc7ccccc7cc6c6c7ccccc7ccc65)c5ccccc45)nc3c2)cc1.

What is the InChIKey of 12-[4-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[6-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[7-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The InChIKey is UBPTWRTULICOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H37N3.C50H31N3/c1-2-12-38(13-3-1)40-22-25-42(26-23-40)59-52-35-47(46-27-24-39-14-4-5-16-43(39)34-46)28-31-54(52)61-60(62-59)51-30-33-55(50-21-11-10-20-49(50)51)63-56-32-29-41-15-8-9-19-48(41)58(56)53-36-44-17-6-7-18-45(44)37-57(53)63;1-2-12-38(13-3-1)40-22-25-42(26-23-40)59-52-30-28-47(46-27-24-39-14-4-5-16-43(39)34-46)36-54(52)61-60(62-59)51-31-33-55(50-21-11-10-20-49(50)51)63-56-32-29-41-15-8-9-19-48(41)58(56)53-35-44-17-6-7-18-45(44)37-57(53)63;1-3-13-32(14-4-1)37-23-25-42-44(30-37)51-50(52-49(42)34-16-5-2-6-17-34)41-26-28-45(40-22-12-11-21-39(40)41)53-46-27-24-33-15-9-10-20-38(33)48(46)43-29-35-18-7-8-19-36(35)31-47(43)53/h2*1-37H;1-31H.

What are the key properties of 12-[4-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[6-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[7-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

12-[4-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[6-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[7-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene has a molecular weight of 2273.77 g/mol, XLogP of 45.20, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[6-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[7-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is sourced from PubChem (CID 161046932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).