14-(2,3-diphenylquinoxalin-6-yl)-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene;12-phenyl-16-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-(7-phenylquinoxalin-6-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;14-phenyl-18-quinoxalin-6-yl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene

C194H120N16 — CID 160794610

About 14-(2,3-diphenylquinoxalin-6-yl)-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene;12-phenyl-16-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-(7-phenylquinoxalin-6-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;14-phenyl-18-quinoxalin-6-yl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene

14-(2,3-diphenylquinoxalin-6-yl)-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene;12-phenyl-16-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-(7-phenylquinoxalin-6-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;14-phenyl-18-quinoxalin-6-yl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene (PubChem CID 160794610) has the molecular formula C194H120N16 and a molecular weight of 2675.21 g/mol. Its IUPAC name is 14-(2,3-diphenylquinoxalin-6-yl)-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene;12-phenyl-16-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-(7-phenylquinoxalin-6-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;14-phenyl-18-quinoxalin-6-yl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene.

Molecular Properties

• Compound Name: 14-(2,3-diphenylquinoxalin-6-yl)-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene;12-phenyl-16-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-(7-phenylquinoxalin-6-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;14-phenyl-18-quinoxalin-6-yl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene
• PubChem CID: 160794610
• Molecular Formula: C194H120N16
• Molecular Weight: 2675.21 g/mol
• Exact Mass: 2672.99
• IUPAC Name: 14-(2,3-diphenylquinoxalin-6-yl)-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene;12-phenyl-16-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-(7-phenylquinoxalin-6-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;14-phenyl-18-quinoxalin-6-yl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene
• SMILES: c1ccc(-c2cc3nccnc3cc2-n2c3ccccc3c3cc4c5cc6ccccc6cc5n(-c5ccccc5)c4cc32)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)c4cc(-n5c6ccccc6c6cc7c8cc9ccccc9cc8n(-c8ccccc8)c7cc65)ccc4n3)cc2)cc1.c1ccc(-c2nc3ccc(-n4c5cc6c(cc5c5c7ccccc7ccc54)c4c5ccccc5ccc4n6-c4ccccc4)cc3nc2-c2ccccc2)cc1.c1ccc(-n2c3cc4c(cc3c3c5ccccc5ccc32)c2c3ccccc3ccc2n4-c2ccc3nccnc3c2)cc1
• InChI: InChI=1S/C60H38N4.C52H32N4.C42H26N4.C40H24N4/c1-4-15-39(16-5-1)41-27-29-42(30-28-41)60-61-54-32-31-48(36-53(54)59(62-60)46-22-14-21-43(33-46)40-17-6-2-7-18-40)64-55-26-13-12-25-49(55)51-37-52-50-34-44-19-10-11-20-45(44)35-56(50)63(58(52)38-57(51)64)47-23-8-3-9-24-47;1-4-16-35(17-5-1)51-52(36-18-6-2-7-19-36)54-44-30-38(26-27-43(44)53-51)56-46-29-25-34-15-11-13-23-40(34)50(46)42-31-41-47(32-48(42)56)55(37-20-8-3-9-21-37)45-28-24-33-14-10-12-22-39(33)49(41)45;1-3-11-27(12-4-1)32-24-36-37(44-20-19-43-36)25-40(32)46-38-18-10-9-17-31(38)34-23-35-33-21-28-13-7-8-14-29(28)22-39(33)45(41(35)26-42(34)46)30-15-5-2-6-16-30;1-2-10-27(11-3-1)43-35-18-14-25-8-4-6-12-29(25)39(35)31-23-32-38(24-37(31)43)44(28-16-17-33-34(22-28)42-21-20-41-33)36-19-15-26-9-5-7-13-30(26)40(32)36/h1-38H;1-32H;1-26H;1-24H
• InChIKey: SCGSZLVJMXQOSG-UHFFFAOYSA-N
• XLogP: 49.88
• TPSA: 142.56 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2675.21
LogP ≤ 5	49.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 14-(2,3-diphenylquinoxalin-6-yl)-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene;12-phenyl-16-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-(7-phenylquinoxalin-6-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;14-phenyl-18-quinoxalin-6-yl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene?

The IUPAC name of 14-(2,3-diphenylquinoxalin-6-yl)-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene;12-phenyl-16-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-(7-phenylquinoxalin-6-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;14-phenyl-18-quinoxalin-6-yl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene (CID 160794610) is 14-(2,3-diphenylquinoxalin-6-yl)-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene;12-phenyl-16-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-(7-phenylquinoxalin-6-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;14-phenyl-18-quinoxalin-6-yl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene.

What is the SMILES notation for 14-(2,3-diphenylquinoxalin-6-yl)-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene;12-phenyl-16-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-(7-phenylquinoxalin-6-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;14-phenyl-18-quinoxalin-6-yl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene?

The canonical SMILES for 14-(2,3-diphenylquinoxalin-6-yl)-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene;12-phenyl-16-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-(7-phenylquinoxalin-6-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;14-phenyl-18-quinoxalin-6-yl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene is c1ccc(-c2cc3nccnc3cc2-n2c3ccccc3c3cc4c5cc6ccccc6cc5n(-c5ccccc5)c4cc32)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)c4cc(-n5c6ccccc6c6cc7c8cc9ccccc9cc8n(-c8ccccc8)c7cc65)ccc4n3)cc2)cc1.c1ccc(-c2nc3ccc(-n4c5cc6c(cc5c5c7ccccc7ccc54)c4c5ccccc5ccc4n6-c4ccccc4)cc3nc2-c2ccccc2)cc1.c1ccc(-n2c3cc4c(cc3c3c5ccccc5ccc32)c2c3ccccc3ccc2n4-c2ccc3nccnc3c2)cc1.

What is the InChIKey of 14-(2,3-diphenylquinoxalin-6-yl)-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene;12-phenyl-16-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-(7-phenylquinoxalin-6-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;14-phenyl-18-quinoxalin-6-yl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene?

The InChIKey is SCGSZLVJMXQOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4.C52H32N4.C42H26N4.C40H24N4/c1-4-15-39(16-5-1)41-27-29-42(30-28-41)60-61-54-32-31-48(36-53(54)59(62-60)46-22-14-21-43(33-46)40-17-6-2-7-18-40)64-55-26-13-12-25-49(55)51-37-52-50-34-44-19-10-11-20-45(44)35-56(50)63(58(52)38-57(51)64)47-23-8-3-9-24-47;1-4-16-35(17-5-1)51-52(36-18-6-2-7-19-36)54-44-30-38(26-27-43(44)53-51)56-46-29-25-34-15-11-13-23-40(34)50(46)42-31-41-47(32-48(42)56)55(37-20-8-3-9-21-37)45-28-24-33-14-10-12-22-39(33)49(41)45;1-3-11-27(12-4-1)32-24-36-37(44-20-19-43-36)25-40(32)46-38-18-10-9-17-31(38)34-23-35-33-21-28-13-7-8-14-29(28)22-39(33)45(41(35)26-42(34)46)30-15-5-2-6-16-30;1-2-10-27(11-3-1)43-35-18-14-25-8-4-6-12-29(25)39(35)31-23-32-38(24-37(31)43)44(28-16-17-33-34(22-28)42-21-20-41-33)36-19-15-26-9-5-7-13-30(26)40(32)36/h1-38H;1-32H;1-26H;1-24H.

What are the key properties of 14-(2,3-diphenylquinoxalin-6-yl)-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene;12-phenyl-16-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-(7-phenylquinoxalin-6-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;14-phenyl-18-quinoxalin-6-yl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene?

14-(2,3-diphenylquinoxalin-6-yl)-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene;12-phenyl-16-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-(7-phenylquinoxalin-6-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;14-phenyl-18-quinoxalin-6-yl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene has a molecular weight of 2675.21 g/mol, XLogP of 49.88, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(2,3-diphenylquinoxalin-6-yl)-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene;12-phenyl-16-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-(7-phenylquinoxalin-6-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;14-phenyl-18-quinoxalin-6-yl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene is sourced from PubChem (CID 160794610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).