12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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-[5-[4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-2-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-[5-(4-phenylquinazolin-2-yl)naphthalen-2-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

C156H97N9 — CID 158935076

About 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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-[5-[4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-2-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-[5-(4-phenylquinazolin-2-yl)naphthalen-2-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-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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-[5-[4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-2-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-[5-(4-phenylquinazolin-2-yl)naphthalen-2-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 158935076) has the molecular formula C156H97N9 and a molecular weight of 2097.55 g/mol. Its IUPAC name is 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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-[5-[4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-2-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-[5-(4-phenylquinazolin-2-yl)naphthalen-2-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-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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-[5-[4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-2-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-[5-(4-phenylquinazolin-2-yl)naphthalen-2-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: 158935076
• Molecular Formula: C156H97N9
• Molecular Weight: 2097.55 g/mol
• Exact Mass: 2095.79
• IUPAC Name: 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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-[5-[4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-2-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-[5-(4-phenylquinazolin-2-yl)naphthalen-2-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(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc(-c5cccc6c(-n7c8ccc9ccccc9c8c8c9ccccc9ccc87)cccc56)nc5ccccc45)cc3)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5cc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)ccc45)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3cccc4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)ccc34)nc3ccccc23)cc1
• InChI: InChI=1S/C62H39N3.C50H31N3.C44H27N3/c1-3-15-40(16-4-1)46-37-47(41-17-5-2-6-18-41)39-48(38-46)42-29-31-45(32-30-42)61-54-23-11-12-27-55(54)63-62(64-61)53-26-13-25-52-51(53)24-14-28-56(52)65-57-35-33-43-19-7-9-21-49(43)59(57)60-50-22-10-8-20-44(50)34-36-58(60)65;1-2-11-32(12-3-1)33-21-23-36(24-22-33)49-43-18-8-9-20-44(43)51-50(52-49)42-19-10-15-37-31-38(27-28-39(37)42)53-45-29-25-34-13-4-6-16-40(34)47(45)48-41-17-7-5-14-35(41)26-30-46(48)53;1-2-13-30(14-3-1)43-37-18-8-9-20-38(37)45-44(46-43)36-19-10-15-31-27-32(23-24-33(31)36)47-39-25-21-28-11-4-6-16-34(28)41(39)42-35-17-7-5-12-29(35)22-26-40(42)47/h1-39H;1-31H;1-27H
• InChIKey: JJNUNIQJZZFKNA-UHFFFAOYSA-N
• XLogP: 41.23
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2097.55
LogP ≤ 5	41.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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-[5-[4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-2-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-[5-(4-phenylquinazolin-2-yl)naphthalen-2-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-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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-[5-[4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-2-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-[5-(4-phenylquinazolin-2-yl)naphthalen-2-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 158935076) is 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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-[5-[4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-2-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-[5-(4-phenylquinazolin-2-yl)naphthalen-2-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-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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-[5-[4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-2-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-[5-(4-phenylquinazolin-2-yl)naphthalen-2-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-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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-[5-[4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-2-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-[5-(4-phenylquinazolin-2-yl)naphthalen-2-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(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc(-c5cccc6c(-n7c8ccc9ccccc9c8c8c9ccccc9ccc87)cccc56)nc5ccccc45)cc3)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5cc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)ccc45)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3cccc4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)ccc34)nc3ccccc23)cc1.

What is the InChIKey of 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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-[5-[4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-2-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-[5-(4-phenylquinazolin-2-yl)naphthalen-2-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 JJNUNIQJZZFKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3.C50H31N3.C44H27N3/c1-3-15-40(16-4-1)46-37-47(41-17-5-2-6-18-41)39-48(38-46)42-29-31-45(32-30-42)61-54-23-11-12-27-55(54)63-62(64-61)53-26-13-25-52-51(53)24-14-28-56(52)65-57-35-33-43-19-7-9-21-49(43)59(57)60-50-22-10-8-20-44(50)34-36-58(60)65;1-2-11-32(12-3-1)33-21-23-36(24-22-33)49-43-18-8-9-20-44(43)51-50(52-49)42-19-10-15-37-31-38(27-28-39(37)42)53-45-29-25-34-13-4-6-16-40(34)47(45)48-41-17-7-5-14-35(41)26-30-46(48)53;1-2-13-30(14-3-1)43-37-18-8-9-20-38(37)45-44(46-43)36-19-10-15-31-27-32(23-24-33(31)36)47-39-25-21-28-11-4-6-16-34(28)41(39)42-35-17-7-5-12-29(35)22-26-40(42)47/h1-39H;1-31H;1-27H.

What are the key properties of 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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-[5-[4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-2-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-[5-(4-phenylquinazolin-2-yl)naphthalen-2-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-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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-[5-[4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-2-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-[5-(4-phenylquinazolin-2-yl)naphthalen-2-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 2097.55 g/mol, XLogP of 41.23, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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-[5-[4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-2-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-[5-(4-phenylquinazolin-2-yl)naphthalen-2-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 158935076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).