12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[6-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene

C152H94N12 — CID 160897005

About 12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[6-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene

12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[6-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene (PubChem CID 160897005) has the molecular formula C152H94N12 and a molecular weight of 2088.51 g/mol. Its IUPAC name is 12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[6-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[6-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
• PubChem CID: 160897005
• Molecular Formula: C152H94N12
• Molecular Weight: 2088.51 g/mol
• Exact Mass: 2086.77
• IUPAC Name: 12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[6-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c7cc8ccccc8cc7n(-c7ccccc7)c6cc54)c4ccccc34)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c7cc8ccccc8cc7n(-c7ccccc7)c6cc54)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc4cc(-n5c6ccccc6c6cc7c8cc9ccccc9cc8n(-c8ccccc8)c7cc65)ccc4c3)nc3ccccc23)cc1
• InChI: InChI=1S/2C52H32N4.C48H30N4/c1-3-13-33(14-4-1)51-42-20-9-11-21-46(42)53-52(54-51)38-24-23-37-28-40(26-25-36(37)27-38)56-47-22-12-10-19-41(47)44-31-45-43-29-34-15-7-8-16-35(34)30-48(43)55(50(45)32-49(44)56)39-17-5-2-6-18-39;1-3-15-33(16-4-1)51-41-24-11-13-25-45(41)53-52(54-51)40-27-28-47(38-22-10-9-21-37(38)40)56-46-26-14-12-23-39(46)43-31-44-42-29-34-17-7-8-18-35(34)30-48(42)55(49(44)32-50(43)56)36-19-5-2-6-20-36;1-3-13-31(14-4-1)47-38-20-9-11-21-42(38)49-48(50-47)32-23-25-36(26-24-32)51-43-22-12-10-19-37(43)40-29-41-39-27-33-15-7-8-16-34(33)28-44(39)52(46(41)30-45(40)51)35-17-5-2-6-18-35/h2*1-32H;1-30H
• InChIKey: SOZWSXCRDRMSCP-UHFFFAOYSA-N
• XLogP: 39.24
• TPSA: 106.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2088.51
LogP ≤ 5	39.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[6-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene?

The IUPAC name of 12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[6-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene (CID 160897005) is 12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[6-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene.

What is the SMILES notation for 12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[6-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene?

The canonical SMILES for 12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[6-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c7cc8ccccc8cc7n(-c7ccccc7)c6cc54)c4ccccc34)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c7cc8ccccc8cc7n(-c7ccccc7)c6cc54)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc4cc(-n5c6ccccc6c6cc7c8cc9ccccc9cc8n(-c8ccccc8)c7cc65)ccc4c3)nc3ccccc23)cc1.

What is the InChIKey of 12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[6-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene?

The InChIKey is SOZWSXCRDRMSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H32N4.C48H30N4/c1-3-13-33(14-4-1)51-42-20-9-11-21-46(42)53-52(54-51)38-24-23-37-28-40(26-25-36(37)27-38)56-47-22-12-10-19-41(47)44-31-45-43-29-34-15-7-8-16-35(34)30-48(43)55(50(45)32-49(44)56)39-17-5-2-6-18-39;1-3-15-33(16-4-1)51-41-24-11-13-25-45(41)53-52(54-51)40-27-28-47(38-22-10-9-21-37(38)40)56-46-26-14-12-23-39(46)43-31-44-42-29-34-17-7-8-18-35(34)30-48(42)55(49(44)32-50(43)56)36-19-5-2-6-20-36;1-3-13-31(14-4-1)47-38-20-9-11-21-42(38)49-48(50-47)32-23-25-36(26-24-32)51-43-22-12-10-19-37(43)40-29-41-39-27-33-15-7-8-16-34(33)28-44(39)52(46(41)30-45(40)51)35-17-5-2-6-18-35/h2*1-32H;1-30H.

What are the key properties of 12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[6-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene?

12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[6-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene has a molecular weight of 2088.51 g/mol, XLogP of 39.24, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[6-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene is sourced from PubChem (CID 160897005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).