3-[9-(5,6-diphenyl-3-pyridin-2-ylpyrazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-[9-(3-pyridin-2-ylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;12-phenyl-16-(3-pyridin-2-ylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C139H87N15 — CID 159191973

About 3-[9-(5,6-diphenyl-3-pyridin-2-ylpyrazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-[9-(3-pyridin-2-ylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;12-phenyl-16-(3-pyridin-2-ylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

3-[9-(5,6-diphenyl-3-pyridin-2-ylpyrazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-[9-(3-pyridin-2-ylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;12-phenyl-16-(3-pyridin-2-ylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 159191973) has the molecular formula C139H87N15 and a molecular weight of 1967.33 g/mol. Its IUPAC name is 3-[9-(5,6-diphenyl-3-pyridin-2-ylpyrazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-[9-(3-pyridin-2-ylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;12-phenyl-16-(3-pyridin-2-ylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 3-[9-(5,6-diphenyl-3-pyridin-2-ylpyrazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-[9-(3-pyridin-2-ylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;12-phenyl-16-(3-pyridin-2-ylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• PubChem CID: 159191973
• Molecular Formula: C139H87N15
• Molecular Weight: 1967.33 g/mol
• Exact Mass: 1965.73
• IUPAC Name: 3-[9-(5,6-diphenyl-3-pyridin-2-ylpyrazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-[9-(3-pyridin-2-ylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;12-phenyl-16-(3-pyridin-2-ylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• SMILES: c1ccc(-c2nc(-c3ccccn3)c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc2-c2ccccc2)cc1.c1ccc(-n2c3cc4c(cc3c3c5ccccc5ccc32)c2ccccc2n4-c2nc3ccccc3nc2-c2ccccn2)cc1.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc5ccccc5nc4-c4ccccn4)cc3c3c4ccccc4ccc32)cc1
• InChI: InChI=1S/C51H33N5.C47H29N5.C41H25N5/c1-4-16-34(17-5-1)48-49(35-18-6-2-7-19-35)54-51(50(53-48)43-24-14-15-31-52-43)56-45-26-13-11-23-40(45)42-33-37(28-30-47(42)56)36-27-29-46-41(32-36)39-22-10-12-25-44(39)55(46)38-20-8-3-9-21-38;1-2-13-33(14-3-1)51-43-25-23-32(29-37(43)45-34-15-5-4-12-30(34)21-26-44(45)51)31-22-24-42-36(28-31)35-16-6-9-20-41(35)52(42)47-46(40-19-10-11-27-48-40)49-38-17-7-8-18-39(38)50-47;1-2-13-27(14-3-1)45-36-22-21-26-12-4-5-15-28(26)39(36)31-24-30-29-16-6-9-20-35(29)46(37(30)25-38(31)45)41-40(34-19-10-11-23-42-34)43-32-17-7-8-18-33(32)44-41/h1-33H;1-29H;1-25H
• InChIKey: KOETXUUOEFYKIG-UHFFFAOYSA-N
• XLogP: 34.48
• TPSA: 145.59 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1967.33
LogP ≤ 5	34.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-[9-(5,6-diphenyl-3-pyridin-2-ylpyrazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-[9-(3-pyridin-2-ylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;12-phenyl-16-(3-pyridin-2-ylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The IUPAC name of 3-[9-(5,6-diphenyl-3-pyridin-2-ylpyrazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-[9-(3-pyridin-2-ylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;12-phenyl-16-(3-pyridin-2-ylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 159191973) is 3-[9-(5,6-diphenyl-3-pyridin-2-ylpyrazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-[9-(3-pyridin-2-ylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;12-phenyl-16-(3-pyridin-2-ylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

What is the SMILES notation for 3-[9-(5,6-diphenyl-3-pyridin-2-ylpyrazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-[9-(3-pyridin-2-ylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;12-phenyl-16-(3-pyridin-2-ylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The canonical SMILES for 3-[9-(5,6-diphenyl-3-pyridin-2-ylpyrazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-[9-(3-pyridin-2-ylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;12-phenyl-16-(3-pyridin-2-ylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1ccc(-c2nc(-c3ccccn3)c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc2-c2ccccc2)cc1.c1ccc(-n2c3cc4c(cc3c3c5ccccc5ccc32)c2ccccc2n4-c2nc3ccccc3nc2-c2ccccn2)cc1.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc5ccccc5nc4-c4ccccn4)cc3c3c4ccccc4ccc32)cc1.

What is the InChIKey of 3-[9-(5,6-diphenyl-3-pyridin-2-ylpyrazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-[9-(3-pyridin-2-ylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;12-phenyl-16-(3-pyridin-2-ylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The InChIKey is KOETXUUOEFYKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5.C47H29N5.C41H25N5/c1-4-16-34(17-5-1)48-49(35-18-6-2-7-19-35)54-51(50(53-48)43-24-14-15-31-52-43)56-45-26-13-11-23-40(45)42-33-37(28-30-47(42)56)36-27-29-46-41(32-36)39-22-10-12-25-44(39)55(46)38-20-8-3-9-21-38;1-2-13-33(14-3-1)51-43-25-23-32(29-37(43)45-34-15-5-4-12-30(34)21-26-44(45)51)31-22-24-42-36(28-31)35-16-6-9-20-41(35)52(42)47-46(40-19-10-11-27-48-40)49-38-17-7-8-18-39(38)50-47;1-2-13-27(14-3-1)45-36-22-21-26-12-4-5-15-28(26)39(36)31-24-30-29-16-6-9-20-35(29)46(37(30)25-38(31)45)41-40(34-19-10-11-23-42-34)43-32-17-7-8-18-33(32)44-41/h1-33H;1-29H;1-25H.

What are the key properties of 3-[9-(5,6-diphenyl-3-pyridin-2-ylpyrazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-[9-(3-pyridin-2-ylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;12-phenyl-16-(3-pyridin-2-ylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

3-[9-(5,6-diphenyl-3-pyridin-2-ylpyrazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-[9-(3-pyridin-2-ylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;12-phenyl-16-(3-pyridin-2-ylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 1967.33 g/mol, XLogP of 34.48, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(5,6-diphenyl-3-pyridin-2-ylpyrazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-[9-(3-pyridin-2-ylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;12-phenyl-16-(3-pyridin-2-ylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 159191973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).