About 7,7,29,29-tetraphenyl-18-[4-(13,35,35-triphenyl-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2,4(24),5(46),6(14),7,9,11,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaen-13-yl)phenyl]-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),8,10,12,15,17,19,21,24,27(45),28(36),30,32,34,37,39,41,43-henicosaene
7,7,29,29-tetraphenyl-18-[4-(13,35,35-triphenyl-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2,4(24),5(46),6(14),7,9,11,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaen-13-yl)phenyl]-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),8,10,12,15,17,19,21,24,27(45),28(36),30,32,34,37,39,41,43-henicosaene (PubChem CID 146263301) has the molecular formula C136H78N4
and a molecular weight of 1768.15 g/mol. Its IUPAC name is 7,7,29,29-tetraphenyl-18-[4-(13,35,35-triphenyl-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2,4(24),5(46),6(14),7,9,11,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaen-13-yl)phenyl]-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),8,10,12,15,17,19,21,24,27(45),28(36),30,32,34,37,39,41,43-henicosaene.
Frequently Asked Questions
What is the IUPAC name of 7,7,29,29-tetraphenyl-18-[4-(13,35,35-triphenyl-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2,4(24),5(46),6(14),7,9,11,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaen-13-yl)phenyl]-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),8,10,12,15,17,19,21,24,27(45),28(36),30,32,34,37,39,41,43-henicosaene?
The IUPAC name of 7,7,29,29-tetraphenyl-18-[4-(13,35,35-triphenyl-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2,4(24),5(46),6(14),7,9,11,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaen-13-yl)phenyl]-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),8,10,12,15,17,19,21,24,27(45),28(36),30,32,34,37,39,41,43-henicosaene (CID 146263301) is 7,7,29,29-tetraphenyl-18-[4-(13,35,35-triphenyl-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2,4(24),5(46),6(14),7,9,11,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaen-13-yl)phenyl]-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),8,10,12,15,17,19,21,24,27(45),28(36),30,32,34,37,39,41,43-henicosaene.
What is the SMILES notation for 7,7,29,29-tetraphenyl-18-[4-(13,35,35-triphenyl-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2,4(24),5(46),6(14),7,9,11,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaen-13-yl)phenyl]-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),8,10,12,15,17,19,21,24,27(45),28(36),30,32,34,37,39,41,43-henicosaene?
The canonical SMILES for 7,7,29,29-tetraphenyl-18-[4-(13,35,35-triphenyl-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2,4(24),5(46),6(14),7,9,11,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaen-13-yl)phenyl]-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),8,10,12,15,17,19,21,24,27(45),28(36),30,32,34,37,39,41,43-henicosaene is c1ccc(C2(c3ccccc3)c3ccccc3-c3c2cc2c4ccccc4n4c5cc6c7c8c(cc9c%10ccccc%10n(c6cc5c3c24)c97)C(c2ccccc2)(c2ccc(-c3cccc4c3c3cc5c(c6c7cc9c(cc7n4c36)c3c4c(cc6c7ccccc7n9c63)-c3ccccc3C4(c3ccccc3)c3ccccc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)cc2)c2ccccc2-8)cc1.
What is the InChIKey of 7,7,29,29-tetraphenyl-18-[4-(13,35,35-triphenyl-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2,4(24),5(46),6(14),7,9,11,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaen-13-yl)phenyl]-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),8,10,12,15,17,19,21,24,27(45),28(36),30,32,34,37,39,41,43-henicosaene?
The InChIKey is SXNYZESPIGPCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C136H78N4/c1-8-37-80(38-9-1)133(81-39-10-2-11-40-81)108-61-31-24-56-94(108)121-110(133)73-99-92-54-27-34-64-113(92)137-116-76-102-117(75-101(116)123(121)129(99)137)138-114-65-35-28-55-93(114)100-74-111-122(124(102)130(100)138)95-57-25-32-62-109(95)134(111,82-41-12-3-13-42-82)87-69-67-79(68-70-87)88-58-36-66-115-120(88)105-72-97-90-52-23-30-60-107(90)136(85-47-18-6-19-48-85,86-49-20-7-21-50-86)128(97)126-104-77-118-103(78-119(104)140(115)132(105)126)125-127-96(71-98-91-53-26-33-63-112(91)139(118)131(98)125)89-51-22-29-59-106(89)135(127,83-43-14-4-15-44-83)84-45-16-5-17-46-84/h1-78H.
What are the key properties of 7,7,29,29-tetraphenyl-18-[4-(13,35,35-triphenyl-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2,4(24),5(46),6(14),7,9,11,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaen-13-yl)phenyl]-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),8,10,12,15,17,19,21,24,27(45),28(36),30,32,34,37,39,41,43-henicosaene?
7,7,29,29-tetraphenyl-18-[4-(13,35,35-triphenyl-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2,4(24),5(46),6(14),7,9,11,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaen-13-yl)phenyl]-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),8,10,12,15,17,19,21,24,27(45),28(36),30,32,34,37,39,41,43-henicosaene has a molecular weight of 1768.15 g/mol, XLogP of 33.41, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,29,29-tetraphenyl-18-[4-(13,35,35-triphenyl-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2,4(24),5(46),6(14),7,9,11,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaen-13-yl)phenyl]-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),8,10,12,15,17,19,21,24,27(45),28(36),30,32,34,37,39,41,43-henicosaene is sourced from PubChem (CID 146263301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).