22-(2,3-diphenylbenzo[f]quinoxalin-9-yl)-15-phenyl-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(2-phenylbenzo[f]quinoxalin-3-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(3-phenylbenzo[h]quinoxalin-2-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene

C135H79N15 — CID 159148519

About 22-(2,3-diphenylbenzo[f]quinoxalin-9-yl)-15-phenyl-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(2-phenylbenzo[f]quinoxalin-3-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(3-phenylbenzo[h]quinoxalin-2-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene

22-(2,3-diphenylbenzo[f]quinoxalin-9-yl)-15-phenyl-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(2-phenylbenzo[f]quinoxalin-3-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(3-phenylbenzo[h]quinoxalin-2-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene (PubChem CID 159148519) has the molecular formula C135H79N15 and a molecular weight of 1911.22 g/mol. Its IUPAC name is 22-(2,3-diphenylbenzo[f]quinoxalin-9-yl)-15-phenyl-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(2-phenylbenzo[f]quinoxalin-3-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(3-phenylbenzo[h]quinoxalin-2-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene.

Molecular Properties

• Compound Name: 22-(2,3-diphenylbenzo[f]quinoxalin-9-yl)-15-phenyl-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(2-phenylbenzo[f]quinoxalin-3-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(3-phenylbenzo[h]quinoxalin-2-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene
• PubChem CID: 159148519
• Molecular Formula: C135H79N15
• Molecular Weight: 1911.22 g/mol
• Exact Mass: 1909.66
• IUPAC Name: 22-(2,3-diphenylbenzo[f]quinoxalin-9-yl)-15-phenyl-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(2-phenylbenzo[f]quinoxalin-3-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(3-phenylbenzo[h]quinoxalin-2-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene
• SMILES: c1ccc(-c2nc3c(ccc4ccccc43)nc2-n2c3cccc4c5ccccc5n5c(-c6ccccc6)nc6ccc2c(c43)c65)cc1.c1ccc(-c2nc3ccc4ccc(-n5c6cccc7c8ccccc8n8c(-c9ccccc9)nc9ccc5c(c76)c98)cc4c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3ccc4ccccc4c3nc2-n2c3cccc4c5ccccc5n5c(-c6ccccc6)nc6ccc2c(c43)c65)cc1
• InChI: InChI=1S/C49H29N5.2C43H25N5/c1-4-13-31(14-5-1)45-46(32-15-6-2-7-16-32)52-47-37-29-34(25-23-30(37)24-26-38(47)50-45)53-41-22-12-20-36-35-19-10-11-21-40(35)54-48-39(27-28-42(53)44(48)43(36)41)51-49(54)33-17-8-3-9-18-33;1-3-13-27(14-4-1)39-43(44-32-23-22-26-12-7-8-17-29(26)40(32)46-39)47-35-21-11-19-31-30-18-9-10-20-34(30)48-41-33(24-25-36(47)38(41)37(31)35)45-42(48)28-15-5-2-6-16-28;1-3-13-27(14-4-1)39-43(46-40-29-17-8-7-12-26(29)22-23-32(40)44-39)47-35-21-11-19-31-30-18-9-10-20-34(30)48-41-33(24-25-36(47)38(41)37(31)35)45-42(48)28-15-5-2-6-16-28/h1-29H;2*1-25H
• InChIKey: KIZFJYDFCMQGHX-UHFFFAOYSA-N
• XLogP: 33.49
• TPSA: 144.03 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1911.22
LogP ≤ 5	33.49
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 22-(2,3-diphenylbenzo[f]quinoxalin-9-yl)-15-phenyl-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(2-phenylbenzo[f]quinoxalin-3-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(3-phenylbenzo[h]quinoxalin-2-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene?

The IUPAC name of 22-(2,3-diphenylbenzo[f]quinoxalin-9-yl)-15-phenyl-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(2-phenylbenzo[f]quinoxalin-3-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(3-phenylbenzo[h]quinoxalin-2-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene (CID 159148519) is 22-(2,3-diphenylbenzo[f]quinoxalin-9-yl)-15-phenyl-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(2-phenylbenzo[f]quinoxalin-3-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(3-phenylbenzo[h]quinoxalin-2-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene.

What is the SMILES notation for 22-(2,3-diphenylbenzo[f]quinoxalin-9-yl)-15-phenyl-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(2-phenylbenzo[f]quinoxalin-3-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(3-phenylbenzo[h]quinoxalin-2-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene?

The canonical SMILES for 22-(2,3-diphenylbenzo[f]quinoxalin-9-yl)-15-phenyl-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(2-phenylbenzo[f]quinoxalin-3-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(3-phenylbenzo[h]quinoxalin-2-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene is c1ccc(-c2nc3c(ccc4ccccc43)nc2-n2c3cccc4c5ccccc5n5c(-c6ccccc6)nc6ccc2c(c43)c65)cc1.c1ccc(-c2nc3ccc4ccc(-n5c6cccc7c8ccccc8n8c(-c9ccccc9)nc9ccc5c(c76)c98)cc4c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3ccc4ccccc4c3nc2-n2c3cccc4c5ccccc5n5c(-c6ccccc6)nc6ccc2c(c43)c65)cc1.

What is the InChIKey of 22-(2,3-diphenylbenzo[f]quinoxalin-9-yl)-15-phenyl-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(2-phenylbenzo[f]quinoxalin-3-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(3-phenylbenzo[h]quinoxalin-2-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene?

The InChIKey is KIZFJYDFCMQGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N5.2C43H25N5/c1-4-13-31(14-5-1)45-46(32-15-6-2-7-16-32)52-47-37-29-34(25-23-30(37)24-26-38(47)50-45)53-41-22-12-20-36-35-19-10-11-21-40(35)54-48-39(27-28-42(53)44(48)43(36)41)51-49(54)33-17-8-3-9-18-33;1-3-13-27(14-4-1)39-43(44-32-23-22-26-12-7-8-17-29(26)40(32)46-39)47-35-21-11-19-31-30-18-9-10-20-34(30)48-41-33(24-25-36(47)38(41)37(31)35)45-42(48)28-15-5-2-6-16-28;1-3-13-27(14-4-1)39-43(46-40-29-17-8-7-12-26(29)22-23-32(40)44-39)47-35-21-11-19-31-30-18-9-10-20-34(30)48-41-33(24-25-36(47)38(41)37(31)35)45-42(48)28-15-5-2-6-16-28/h1-29H;2*1-25H.

What are the key properties of 22-(2,3-diphenylbenzo[f]quinoxalin-9-yl)-15-phenyl-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(2-phenylbenzo[f]quinoxalin-3-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(3-phenylbenzo[h]quinoxalin-2-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene?

22-(2,3-diphenylbenzo[f]quinoxalin-9-yl)-15-phenyl-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(2-phenylbenzo[f]quinoxalin-3-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(3-phenylbenzo[h]quinoxalin-2-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene has a molecular weight of 1911.22 g/mol, XLogP of 33.49, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 22-(2,3-diphenylbenzo[f]quinoxalin-9-yl)-15-phenyl-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(2-phenylbenzo[f]quinoxalin-3-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene;15-phenyl-22-(3-phenylbenzo[h]quinoxalin-2-yl)-14,16,22-triazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene is sourced from PubChem (CID 159148519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).