12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C204H126N16 — CID 159271257

About 12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 159271257) has the molecular formula C204H126N16 and a molecular weight of 2801.36 g/mol. Its IUPAC name is 12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• PubChem CID: 159271257
• Molecular Formula: C204H126N16
• Molecular Weight: 2801.36 g/mol
• Exact Mass: 2799.04
• IUPAC Name: 12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c7ccc8ccccc8c7n(-c7ccccc7)c6cc54)c4ccccc34)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c7ccc8ccccc8c7n(-c7ccccc7)c6cc54)cc3)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccc6ccccc6c5n(-c5nc(-c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc6n5)c4cc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccc6ccccc6c5n(-c5nc(-c6ccc(-c7cccc8ccccc78)cc6)c6ccccc6n5)c4cc32)cc1
• InChI: InChI=1S/3C52H32N4.C48H30N4/c1-3-16-34(17-4-1)50-42-24-11-13-25-45(42)53-52(54-50)41-29-30-47(38-22-10-9-21-37(38)41)56-46-26-14-12-23-39(46)43-31-44-40-28-27-33-15-7-8-20-36(33)51(40)55(48(44)32-49(43)56)35-18-5-2-6-19-35;1-2-16-37(17-3-1)55-47-24-11-9-20-41(47)44-31-45-42-30-29-34-14-5-7-19-40(34)51(42)56(49(45)32-48(44)55)52-53-46-23-10-8-21-43(46)50(54-52)36-27-25-35(26-28-36)39-22-12-15-33-13-4-6-18-38(33)39;1-2-15-39(16-3-1)55-47-21-11-9-18-41(47)44-31-45-42-29-28-35-13-6-7-17-40(35)51(42)56(49(45)32-48(44)55)52-53-46-20-10-8-19-43(46)50(54-52)36-25-22-34(23-26-36)38-27-24-33-12-4-5-14-37(33)30-38;1-3-14-32(15-4-1)46-39-20-9-11-21-42(39)49-48(50-46)33-23-26-35(27-24-33)51-43-22-12-10-19-37(43)40-29-41-38-28-25-31-13-7-8-18-36(31)47(38)52(45(41)30-44(40)51)34-16-5-2-6-17-34/h3*1-32H;1-30H
• InChIKey: KXTBQBNKVVLZPH-UHFFFAOYSA-N
• XLogP: 52.70
• TPSA: 142.56 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2801.36
LogP ≤ 5	52.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The IUPAC name of 12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 159271257) is 12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

What is the SMILES notation for 12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The canonical SMILES for 12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c7ccc8ccccc8c7n(-c7ccccc7)c6cc54)c4ccccc34)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c7ccc8ccccc8c7n(-c7ccccc7)c6cc54)cc3)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccc6ccccc6c5n(-c5nc(-c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc6n5)c4cc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccc6ccccc6c5n(-c5nc(-c6ccc(-c7cccc8ccccc78)cc6)c6ccccc6n5)c4cc32)cc1.

What is the InChIKey of 12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The InChIKey is KXTBQBNKVVLZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C52H32N4.C48H30N4/c1-3-16-34(17-4-1)50-42-24-11-13-25-45(42)53-52(54-50)41-29-30-47(38-22-10-9-21-37(38)41)56-46-26-14-12-23-39(46)43-31-44-40-28-27-33-15-7-8-20-36(33)51(40)55(48(44)32-49(43)56)35-18-5-2-6-19-35;1-2-16-37(17-3-1)55-47-24-11-9-20-41(47)44-31-45-42-30-29-34-14-5-7-19-40(34)51(42)56(49(45)32-48(44)55)52-53-46-23-10-8-21-43(46)50(54-52)36-27-25-35(26-28-36)39-22-12-15-33-13-4-6-18-38(33)39;1-2-15-39(16-3-1)55-47-21-11-9-18-41(47)44-31-45-42-29-28-35-13-6-7-17-40(35)51(42)56(49(45)32-48(44)55)52-53-46-20-10-8-19-43(46)50(54-52)36-25-22-34(23-26-36)38-27-24-33-12-4-5-14-37(33)30-38;1-3-14-32(15-4-1)46-39-20-9-11-21-42(39)49-48(50-46)33-23-26-35(27-24-33)51-43-22-12-10-19-37(43)40-29-41-38-28-25-31-13-7-8-18-36(31)47(38)52(45(41)30-44(40)51)34-16-5-2-6-17-34/h3*1-32H;1-30H.

What are the key properties of 12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 2801.36 g/mol, XLogP of 52.70, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 159271257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).