22-(2,4-diphenylquinazolin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,4-diphenylquinazolin-7-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,3-diphenylquinoxalin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene

C132H81N9 — CID 165017021

About 22-(2,4-diphenylquinazolin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,4-diphenylquinazolin-7-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,3-diphenylquinoxalin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene

22-(2,4-diphenylquinazolin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,4-diphenylquinazolin-7-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,3-diphenylquinoxalin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene (PubChem CID 165017021) has the molecular formula C132H81N9 and a molecular weight of 1793.16 g/mol. Its IUPAC name is 22-(2,4-diphenylquinazolin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,4-diphenylquinazolin-7-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,3-diphenylquinoxalin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene.

Molecular Properties

• Compound Name: 22-(2,4-diphenylquinazolin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,4-diphenylquinazolin-7-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,3-diphenylquinoxalin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
• PubChem CID: 165017021
• Molecular Formula: C132H81N9
• Molecular Weight: 1793.16 g/mol
• Exact Mass: 1791.66
• IUPAC Name: 22-(2,4-diphenylquinazolin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,4-diphenylquinazolin-7-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,3-diphenylquinoxalin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5ccccc5c5c6ccc7ccc8ccccc8c7c6ccc54)ccc3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3ccc(-n4c5ccccc5c5c6ccc7ccc8ccccc8c7c6ccc54)cc3n2)cc1.c1ccc(-c2nc3ccc(-n4c5ccccc5c5c6ccc7ccc8ccccc8c7c6ccc54)cc3nc2-c2ccccc2)cc1
• InChI: InChI=1S/3C44H27N3/c1-3-12-30(13-4-1)43-37-27-32(22-25-38(37)45-44(46-43)31-14-5-2-6-15-31)47-39-18-10-9-17-36(39)42-35-23-21-29-20-19-28-11-7-8-16-33(28)41(29)34(35)24-26-40(42)47;1-3-12-30(13-4-1)43-44(31-14-5-2-6-15-31)46-38-27-32(22-25-37(38)45-43)47-39-18-10-9-17-36(39)42-35-23-21-29-20-19-28-11-7-8-16-33(28)41(29)34(35)24-26-40(42)47;1-3-12-30(13-4-1)43-36-24-22-32(27-38(36)45-44(46-43)31-14-5-2-6-15-31)47-39-18-10-9-17-37(39)42-35-23-21-29-20-19-28-11-7-8-16-33(28)41(29)34(35)25-26-40(42)47/h3*1-27H
• InChIKey: KOTLEKFIEHEYIV-UHFFFAOYSA-N
• XLogP: 34.56
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1793.16
LogP ≤ 5	34.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 22-(2,4-diphenylquinazolin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,4-diphenylquinazolin-7-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,3-diphenylquinoxalin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene?

The IUPAC name of 22-(2,4-diphenylquinazolin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,4-diphenylquinazolin-7-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,3-diphenylquinoxalin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene (CID 165017021) is 22-(2,4-diphenylquinazolin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,4-diphenylquinazolin-7-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,3-diphenylquinoxalin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene.

What is the SMILES notation for 22-(2,4-diphenylquinazolin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,4-diphenylquinazolin-7-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,3-diphenylquinoxalin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene?

The canonical SMILES for 22-(2,4-diphenylquinazolin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,4-diphenylquinazolin-7-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,3-diphenylquinoxalin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene is c1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5ccccc5c5c6ccc7ccc8ccccc8c7c6ccc54)ccc3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3ccc(-n4c5ccccc5c5c6ccc7ccc8ccccc8c7c6ccc54)cc3n2)cc1.c1ccc(-c2nc3ccc(-n4c5ccccc5c5c6ccc7ccc8ccccc8c7c6ccc54)cc3nc2-c2ccccc2)cc1.

What is the InChIKey of 22-(2,4-diphenylquinazolin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,4-diphenylquinazolin-7-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,3-diphenylquinoxalin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene?

The InChIKey is KOTLEKFIEHEYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C44H27N3/c1-3-12-30(13-4-1)43-37-27-32(22-25-38(37)45-44(46-43)31-14-5-2-6-15-31)47-39-18-10-9-17-36(39)42-35-23-21-29-20-19-28-11-7-8-16-33(28)41(29)34(35)24-26-40(42)47;1-3-12-30(13-4-1)43-44(31-14-5-2-6-15-31)46-38-27-32(22-25-37(38)45-43)47-39-18-10-9-17-36(39)42-35-23-21-29-20-19-28-11-7-8-16-33(28)41(29)34(35)24-26-40(42)47;1-3-12-30(13-4-1)43-36-24-22-32(27-38(36)45-44(46-43)31-14-5-2-6-15-31)47-39-18-10-9-17-37(39)42-35-23-21-29-20-19-28-11-7-8-16-33(28)41(29)34(35)25-26-40(42)47/h3*1-27H.

What are the key properties of 22-(2,4-diphenylquinazolin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,4-diphenylquinazolin-7-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,3-diphenylquinoxalin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene?

22-(2,4-diphenylquinazolin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,4-diphenylquinazolin-7-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,3-diphenylquinoxalin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene has a molecular weight of 1793.16 g/mol, XLogP of 34.56, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 22-(2,4-diphenylquinazolin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,4-diphenylquinazolin-7-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,3-diphenylquinoxalin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene is sourced from PubChem (CID 165017021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).