16-(2,4-diphenylquinazolin-7-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;16-(2,3-diphenylquinoxalin-6-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;17-(2,3-diphenylquinoxalin-5-yl)-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene;22-(2,3-diphenylquinoxalin-5-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-(3-phenylquinoxalin-2-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

C214H131N15 — CID 164974742

About 16-(2,4-diphenylquinazolin-7-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;16-(2,3-diphenylquinoxalin-6-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;17-(2,3-diphenylquinoxalin-5-yl)-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene;22-(2,3-diphenylquinoxalin-5-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-(3-phenylquinoxalin-2-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

16-(2,4-diphenylquinazolin-7-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;16-(2,3-diphenylquinoxalin-6-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;17-(2,3-diphenylquinoxalin-5-yl)-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene;22-(2,3-diphenylquinoxalin-5-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-(3-phenylquinoxalin-2-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 164974742) has the molecular formula C214H131N15 and a molecular weight of 2912.51 g/mol. Its IUPAC name is 16-(2,4-diphenylquinazolin-7-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;16-(2,3-diphenylquinoxalin-6-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;17-(2,3-diphenylquinoxalin-5-yl)-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene;22-(2,3-diphenylquinoxalin-5-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-(3-phenylquinoxalin-2-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: 16-(2,4-diphenylquinazolin-7-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;16-(2,3-diphenylquinoxalin-6-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;17-(2,3-diphenylquinoxalin-5-yl)-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene;22-(2,3-diphenylquinoxalin-5-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-(3-phenylquinoxalin-2-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: 164974742
• Molecular Formula: C214H131N15
• Molecular Weight: 2912.51 g/mol
• Exact Mass: 2910.07
• IUPAC Name: 16-(2,4-diphenylquinazolin-7-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;16-(2,3-diphenylquinoxalin-6-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;17-(2,3-diphenylquinoxalin-5-yl)-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene;22-(2,3-diphenylquinoxalin-5-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-(3-phenylquinoxalin-2-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)c3ccc(-n4c5ccccc5c5ccc6c(ccc7ccc8ccccc8c76)c54)cc3n2)cc1.c1ccc(-c2nc3ccc(-n4c5ccccc5c5ccc6c(ccc7ccc8ccccc8c76)c54)cc3nc2-c2ccccc2)cc1.c1ccc(-c2nc3cccc(-n4c5ccccc5c5c6ccc7ccc8ccccc8c7c6ccc54)c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3cccc(-n4c5ccccc5c5cc6c(ccc7ccc8ccccc8c76)cc54)c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3c4ccc5ccc6ccccc6c5c4ccc32)cc1
• InChI: InChI=1S/4C44H27N3.C38H23N3/c1-3-13-30(14-4-1)42-43(31-15-5-2-6-16-31)46-44-37(45-42)19-11-21-39(44)47-38-20-10-9-18-34(38)36-27-35-32(26-40(36)47)25-24-29-23-22-28-12-7-8-17-33(28)41(29)35;1-3-13-30(14-4-1)42-43(31-15-5-2-6-16-31)46-44-36(45-42)19-11-21-39(44)47-37-20-10-9-18-35(37)41-34-25-24-29-23-22-28-12-7-8-17-32(28)40(29)33(34)26-27-38(41)47;1-3-12-30(13-4-1)42-43(31-14-5-2-6-15-31)46-39-27-32(22-26-38(39)45-42)47-40-18-10-9-17-34(40)36-25-24-35-37(44(36)47)23-21-29-20-19-28-11-7-8-16-33(28)41(29)35;1-3-12-30(13-4-1)42-38-24-22-32(27-39(38)45-44(46-42)31-14-5-2-6-15-31)47-40-18-10-9-17-34(40)36-26-25-35-37(43(36)47)23-21-29-20-19-28-11-7-8-16-33(28)41(29)35;1-2-11-26(12-3-1)37-38(40-32-16-8-7-15-31(32)39-37)41-33-17-9-6-14-30(33)36-29-21-20-25-19-18-24-10-4-5-13-27(24)35(25)28(29)22-23-34(36)41/h4*1-27H;1-23H
• InChIKey: DPRCWMSFYJXJFL-UHFFFAOYSA-N
• XLogP: 55.94
• TPSA: 153.55 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2912.51
LogP ≤ 5	55.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 16-(2,4-diphenylquinazolin-7-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;16-(2,3-diphenylquinoxalin-6-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;17-(2,3-diphenylquinoxalin-5-yl)-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene;22-(2,3-diphenylquinoxalin-5-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-(3-phenylquinoxalin-2-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 16-(2,4-diphenylquinazolin-7-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;16-(2,3-diphenylquinoxalin-6-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;17-(2,3-diphenylquinoxalin-5-yl)-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene;22-(2,3-diphenylquinoxalin-5-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-(3-phenylquinoxalin-2-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 164974742) is 16-(2,4-diphenylquinazolin-7-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;16-(2,3-diphenylquinoxalin-6-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;17-(2,3-diphenylquinoxalin-5-yl)-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene;22-(2,3-diphenylquinoxalin-5-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-(3-phenylquinoxalin-2-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 16-(2,4-diphenylquinazolin-7-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;16-(2,3-diphenylquinoxalin-6-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;17-(2,3-diphenylquinoxalin-5-yl)-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene;22-(2,3-diphenylquinoxalin-5-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-(3-phenylquinoxalin-2-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 16-(2,4-diphenylquinazolin-7-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;16-(2,3-diphenylquinoxalin-6-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;17-(2,3-diphenylquinoxalin-5-yl)-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene;22-(2,3-diphenylquinoxalin-5-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-(3-phenylquinoxalin-2-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)c3ccc(-n4c5ccccc5c5ccc6c(ccc7ccc8ccccc8c76)c54)cc3n2)cc1.c1ccc(-c2nc3ccc(-n4c5ccccc5c5ccc6c(ccc7ccc8ccccc8c76)c54)cc3nc2-c2ccccc2)cc1.c1ccc(-c2nc3cccc(-n4c5ccccc5c5c6ccc7ccc8ccccc8c7c6ccc54)c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3cccc(-n4c5ccccc5c5cc6c(ccc7ccc8ccccc8c76)cc54)c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3c4ccc5ccc6ccccc6c5c4ccc32)cc1.

What is the InChIKey of 16-(2,4-diphenylquinazolin-7-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;16-(2,3-diphenylquinoxalin-6-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;17-(2,3-diphenylquinoxalin-5-yl)-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene;22-(2,3-diphenylquinoxalin-5-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-(3-phenylquinoxalin-2-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 DPRCWMSFYJXJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C44H27N3.C38H23N3/c1-3-13-30(14-4-1)42-43(31-15-5-2-6-16-31)46-44-37(45-42)19-11-21-39(44)47-38-20-10-9-18-34(38)36-27-35-32(26-40(36)47)25-24-29-23-22-28-12-7-8-17-33(28)41(29)35;1-3-13-30(14-4-1)42-43(31-15-5-2-6-16-31)46-44-36(45-42)19-11-21-39(44)47-37-20-10-9-18-35(37)41-34-25-24-29-23-22-28-12-7-8-17-32(28)40(29)33(34)26-27-38(41)47;1-3-12-30(13-4-1)42-43(31-14-5-2-6-15-31)46-39-27-32(22-26-38(39)45-42)47-40-18-10-9-17-34(40)36-25-24-35-37(44(36)47)23-21-29-20-19-28-11-7-8-16-33(28)41(29)35;1-3-12-30(13-4-1)42-38-24-22-32(27-39(38)45-44(46-42)31-14-5-2-6-15-31)47-40-18-10-9-17-34(40)36-26-25-35-37(43(36)47)23-21-29-20-19-28-11-7-8-16-33(28)41(29)35;1-2-11-26(12-3-1)37-38(40-32-16-8-7-15-31(32)39-37)41-33-17-9-6-14-30(33)36-29-21-20-25-19-18-24-10-4-5-13-27(24)35(25)28(29)22-23-34(36)41/h4*1-27H;1-23H.

What are the key properties of 16-(2,4-diphenylquinazolin-7-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;16-(2,3-diphenylquinoxalin-6-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;17-(2,3-diphenylquinoxalin-5-yl)-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene;22-(2,3-diphenylquinoxalin-5-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-(3-phenylquinoxalin-2-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?

16-(2,4-diphenylquinazolin-7-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;16-(2,3-diphenylquinoxalin-6-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;17-(2,3-diphenylquinoxalin-5-yl)-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene;22-(2,3-diphenylquinoxalin-5-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-(3-phenylquinoxalin-2-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 2912.51 g/mol, XLogP of 55.94, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 16-(2,4-diphenylquinazolin-7-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;16-(2,3-diphenylquinoxalin-6-yl)-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;17-(2,3-diphenylquinoxalin-5-yl)-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene;22-(2,3-diphenylquinoxalin-5-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-(3-phenylquinoxalin-2-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 164974742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).