About 12-[4-[4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)benzo[b]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-14-(9-phenylcarbazol-3-yl)-6-[4-[4-phenyl-6-[4-[10-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene
12-[4-[4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)benzo[b]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-14-(9-phenylcarbazol-3-yl)-6-[4-[4-phenyl-6-[4-[10-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene (PubChem CID 134556138) has the molecular formula C173H105N15
and a molecular weight of 2393.85 g/mol. Its IUPAC name is 12-[4-[4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)benzo[b]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-14-(9-phenylcarbazol-3-yl)-6-[4-[4-phenyl-6-[4-[10-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene.
Frequently Asked Questions
What is the IUPAC name of 12-[4-[4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)benzo[b]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-14-(9-phenylcarbazol-3-yl)-6-[4-[4-phenyl-6-[4-[10-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene?
The IUPAC name of 12-[4-[4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)benzo[b]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-14-(9-phenylcarbazol-3-yl)-6-[4-[4-phenyl-6-[4-[10-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene (CID 134556138) is 12-[4-[4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)benzo[b]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-14-(9-phenylcarbazol-3-yl)-6-[4-[4-phenyl-6-[4-[10-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene.
What is the SMILES notation for 12-[4-[4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)benzo[b]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-14-(9-phenylcarbazol-3-yl)-6-[4-[4-phenyl-6-[4-[10-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene?
The canonical SMILES for 12-[4-[4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)benzo[b]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-14-(9-phenylcarbazol-3-yl)-6-[4-[4-phenyl-6-[4-[10-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc(-n9c%10ccc%11cc(-c%12ccc(-c%13nc(-c%14ccccc%14)nc(-c%14ccc(-n%15c%16c(-c%17ccc%18c(c%17)c%17ccccc%17n%18-c%17ccccc%17)c%17ccccc%17cc%16c%16ccc%17ccccc%17c%16%15)cc%14)n%13)cc%12)ccc%11c%10c%10cc%11ccccc%11c(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)c%109)cc8)n7)cc6)cc5c5cc6ccccc6c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c54)cc3)n2)cc1.
What is the InChIKey of 12-[4-[4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)benzo[b]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-14-(9-phenylcarbazol-3-yl)-6-[4-[4-phenyl-6-[4-[10-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene?
The InChIKey is DJJYOMCDEIEDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C173H105N15/c1-8-37-109(38-9-1)165-174-166(110-39-10-2-11-40-110)178-171(177-165)115-72-85-130(86-73-115)186-155-93-80-119(99-145(155)147-101-121-46-24-26-54-133(121)157(162(147)186)124-82-94-152-142(103-124)138-58-30-33-61-149(138)183(152)127-48-16-5-17-49-127)107-66-70-114(71-67-107)170-176-167(111-41-12-3-13-42-111)179-172(181-170)116-74-87-131(88-75-116)187-156-97-81-123-98-118(79-91-136(123)160(156)148-102-122-47-25-28-56-135(122)159(164(148)187)126-84-96-154-144(105-126)140-60-32-35-63-151(140)185(154)129-52-20-7-21-53-129)106-64-68-113(69-65-106)169-175-168(112-43-14-4-15-44-112)180-173(182-169)117-76-89-132(90-77-117)188-161-137-57-29-22-36-108(137)78-92-141(161)146-100-120-45-23-27-55-134(120)158(163(146)188)125-83-95-153-143(104-125)139-59-31-34-62-150(139)184(153)128-50-18-6-19-51-128/h1-105H.
What are the key properties of 12-[4-[4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)benzo[b]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-14-(9-phenylcarbazol-3-yl)-6-[4-[4-phenyl-6-[4-[10-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene?
12-[4-[4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)benzo[b]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-14-(9-phenylcarbazol-3-yl)-6-[4-[4-phenyl-6-[4-[10-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene has a molecular weight of 2393.85 g/mol, XLogP of 43.93, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)benzo[b]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-14-(9-phenylcarbazol-3-yl)-6-[4-[4-phenyl-6-[4-[10-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene is sourced from PubChem (CID 134556138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).