About 19-[7-[3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxalin-2-yl]-9-phenylcarbazol-2-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene
19-[7-[3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxalin-2-yl]-9-phenylcarbazol-2-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene (PubChem CID 130266507) has the molecular formula C114H64N10
and a molecular weight of 1573.84 g/mol. Its IUPAC name is 19-[7-[3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxalin-2-yl]-9-phenylcarbazol-2-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene.
Frequently Asked Questions
What is the IUPAC name of 19-[7-[3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxalin-2-yl]-9-phenylcarbazol-2-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene?
The IUPAC name of 19-[7-[3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxalin-2-yl]-9-phenylcarbazol-2-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene (CID 130266507) is 19-[7-[3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxalin-2-yl]-9-phenylcarbazol-2-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene.
What is the SMILES notation for 19-[7-[3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxalin-2-yl]-9-phenylcarbazol-2-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene?
The canonical SMILES for 19-[7-[3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxalin-2-yl]-9-phenylcarbazol-2-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene is c1ccc(-n2c3ccccc3c3ccc(-c4nc5ccccc5nc4-c4ccc(-n5c6cc7ccccc7cc6c6cc7c8cc(-c9ccc%10c%11ccc(-c%12nc%13ccccc%13nc%12-n%12c%13cc%14ccccc%14cc%13c%13cc%14c%15ccccc%15n%15c%16ccccc%16c(c%13%12)c%14%15)cc%11n(-c%11ccccc%11)c%10c9)ccc8n8c9ccccc9c(c65)c78)cc4)cc32)cc1.
What is the InChIKey of 19-[7-[3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxalin-2-yl]-9-phenylcarbazol-2-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene?
The InChIKey is ITAUWMASEQFKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H64N10/c1-3-27-74(28-4-1)119-95-39-19-11-31-77(95)79-52-46-72(61-101(79)119)108-107(115-91-35-15-16-36-92(91)116-108)65-43-49-76(50-44-65)121-103-58-68-25-9-7-23-66(68)55-85(103)89-64-88-84-57-70(48-54-99(84)123-98-42-22-13-33-82(98)105(110(89)121)112(88)123)71-45-51-80-81-53-47-73(62-102(81)120(100(80)60-71)75-29-5-2-6-30-75)109-114(118-94-38-18-17-37-93(94)117-109)124-104-59-69-26-10-8-24-67(69)56-86(104)90-63-87-78-32-12-20-40-96(78)122-97-41-21-14-34-83(97)106(111(87)122)113(90)124/h1-64H.
What are the key properties of 19-[7-[3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxalin-2-yl]-9-phenylcarbazol-2-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene?
19-[7-[3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxalin-2-yl]-9-phenylcarbazol-2-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene has a molecular weight of 1573.84 g/mol, XLogP of 29.24, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[7-[3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxalin-2-yl]-9-phenylcarbazol-2-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene is sourced from PubChem (CID 130266507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).