11-(2,3-diphenylquinoxalin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene;12-phenyl-16-(7-phenylquinoxalin-6-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;15-phenyl-11-quinoxalin-6-yl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene

C134H82N12 — CID 158830650

About 11-(2,3-diphenylquinoxalin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene;12-phenyl-16-(7-phenylquinoxalin-6-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;15-phenyl-11-quinoxalin-6-yl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene

11-(2,3-diphenylquinoxalin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene;12-phenyl-16-(7-phenylquinoxalin-6-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;15-phenyl-11-quinoxalin-6-yl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene (PubChem CID 158830650) has the molecular formula C134H82N12 and a molecular weight of 1860.21 g/mol. Its IUPAC name is 11-(2,3-diphenylquinoxalin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene;12-phenyl-16-(7-phenylquinoxalin-6-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;15-phenyl-11-quinoxalin-6-yl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene.

Molecular Properties

• Compound Name: 11-(2,3-diphenylquinoxalin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene;12-phenyl-16-(7-phenylquinoxalin-6-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;15-phenyl-11-quinoxalin-6-yl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene
• PubChem CID: 158830650
• Molecular Formula: C134H82N12
• Molecular Weight: 1860.21 g/mol
• Exact Mass: 1858.68
• IUPAC Name: 11-(2,3-diphenylquinoxalin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene;12-phenyl-16-(7-phenylquinoxalin-6-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;15-phenyl-11-quinoxalin-6-yl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene
• SMILES: c1ccc(-c2cc3nccnc3cc2-n2c3ccccc3c3cc4c5ccc6ccccc6c5n(-c5ccccc5)c4cc32)cc1.c1ccc(-c2nc3ccc(-n4c5ccccc5c5cc6c7c8ccccc8c8ccccc8c7n(-c7ccccc7)c6cc54)cc3nc2-c2ccccc2)cc1.c1ccc(-n2c3cc4c(cc3c3c5ccccc5c5ccccc5c32)c2ccccc2n4-c2ccc3nccnc3c2)cc1
• InChI: InChI=1S/C52H32N4.C42H26N4.C40H24N4/c1-4-16-33(17-5-1)50-51(34-18-6-2-7-19-34)54-45-30-36(28-29-44(45)53-50)55-46-27-15-14-24-39(46)42-31-43-48(32-47(42)55)56(35-20-8-3-9-21-35)52-41-26-13-11-23-38(41)37-22-10-12-25-40(37)49(43)52;1-3-11-27(12-4-1)33-24-36-37(44-22-21-43-36)25-39(33)46-38-18-10-9-17-31(38)34-23-35-32-20-19-28-13-7-8-16-30(28)42(32)45(40(35)26-41(34)46)29-14-5-2-6-15-29;1-2-10-25(11-3-1)44-38-24-37-32(23-33(38)39-30-15-6-4-12-27(30)28-13-5-7-16-31(28)40(39)44)29-14-8-9-17-36(29)43(37)26-18-19-34-35(22-26)42-21-20-41-34/h1-32H;1-26H;1-24H
• InChIKey: IWZPIZGRNZYLHG-UHFFFAOYSA-N
• XLogP: 34.24
• TPSA: 106.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1860.21
LogP ≤ 5	34.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-(2,3-diphenylquinoxalin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene;12-phenyl-16-(7-phenylquinoxalin-6-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;15-phenyl-11-quinoxalin-6-yl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene?

The IUPAC name of 11-(2,3-diphenylquinoxalin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene;12-phenyl-16-(7-phenylquinoxalin-6-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;15-phenyl-11-quinoxalin-6-yl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene (CID 158830650) is 11-(2,3-diphenylquinoxalin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene;12-phenyl-16-(7-phenylquinoxalin-6-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;15-phenyl-11-quinoxalin-6-yl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene.

What is the SMILES notation for 11-(2,3-diphenylquinoxalin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene;12-phenyl-16-(7-phenylquinoxalin-6-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;15-phenyl-11-quinoxalin-6-yl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene?

The canonical SMILES for 11-(2,3-diphenylquinoxalin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene;12-phenyl-16-(7-phenylquinoxalin-6-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;15-phenyl-11-quinoxalin-6-yl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene is c1ccc(-c2cc3nccnc3cc2-n2c3ccccc3c3cc4c5ccc6ccccc6c5n(-c5ccccc5)c4cc32)cc1.c1ccc(-c2nc3ccc(-n4c5ccccc5c5cc6c7c8ccccc8c8ccccc8c7n(-c7ccccc7)c6cc54)cc3nc2-c2ccccc2)cc1.c1ccc(-n2c3cc4c(cc3c3c5ccccc5c5ccccc5c32)c2ccccc2n4-c2ccc3nccnc3c2)cc1.

What is the InChIKey of 11-(2,3-diphenylquinoxalin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene;12-phenyl-16-(7-phenylquinoxalin-6-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;15-phenyl-11-quinoxalin-6-yl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene?

The InChIKey is IWZPIZGRNZYLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4.C42H26N4.C40H24N4/c1-4-16-33(17-5-1)50-51(34-18-6-2-7-19-34)54-45-30-36(28-29-44(45)53-50)55-46-27-15-14-24-39(46)42-31-43-48(32-47(42)55)56(35-20-8-3-9-21-35)52-41-26-13-11-23-38(41)37-22-10-12-25-40(37)49(43)52;1-3-11-27(12-4-1)33-24-36-37(44-22-21-43-36)25-39(33)46-38-18-10-9-17-31(38)34-23-35-32-20-19-28-13-7-8-16-30(28)42(32)45(40(35)26-41(34)46)29-14-5-2-6-15-29;1-2-10-25(11-3-1)44-38-24-37-32(23-33(38)39-30-15-6-4-12-27(30)28-13-5-7-16-31(28)40(39)44)29-14-8-9-17-36(29)43(37)26-18-19-34-35(22-26)42-21-20-41-34/h1-32H;1-26H;1-24H.

What are the key properties of 11-(2,3-diphenylquinoxalin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene;12-phenyl-16-(7-phenylquinoxalin-6-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;15-phenyl-11-quinoxalin-6-yl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene?

11-(2,3-diphenylquinoxalin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene;12-phenyl-16-(7-phenylquinoxalin-6-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;15-phenyl-11-quinoxalin-6-yl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene has a molecular weight of 1860.21 g/mol, XLogP of 34.24, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(2,3-diphenylquinoxalin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene;12-phenyl-16-(7-phenylquinoxalin-6-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;15-phenyl-11-quinoxalin-6-yl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene is sourced from PubChem (CID 158830650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).