9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazole;9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole;3,6-dideuterio-9-[2-[2-(3-deuterio-6-methylcarbazol-9-yl)phenyl]-6-(3,6-dideuteriocarbazol-9-yl)pyrimidin-4-yl]carbazole;3,6-dideuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;9-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)phenyl]carbazole

C247H154B6N12O12 — CID 165053334

About 9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazole;9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole;3,6-dideuterio-9-[2-[2-(3-deuterio-6-methylcarbazol-9-yl)phenyl]-6-(3,6-dideuteriocarbazol-9-yl)pyrimidin-4-yl]carbazole;3,6-dideuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;9-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)phenyl]carbazole

9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazole;9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole;3,6-dideuterio-9-[2-[2-(3-deuterio-6-methylcarbazol-9-yl)phenyl]-6-(3,6-dideuteriocarbazol-9-yl)pyrimidin-4-yl]carbazole;3,6-dideuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;9-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)phenyl]carbazole (PubChem CID 165053334) has the molecular formula C247H154B6N12O12 and a molecular weight of 3635.43 g/mol. Its IUPAC name is 9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazole;9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole;3,6-dideuterio-9-[2-[2-(3-deuterio-6-methylcarbazol-9-yl)phenyl]-6-(3,6-dideuteriocarbazol-9-yl)pyrimidin-4-yl]carbazole;3,6-dideuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;9-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazole;9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole;3,6-dideuterio-9-[2-[2-(3-deuterio-6-methylcarbazol-9-yl)phenyl]-6-(3,6-dideuteriocarbazol-9-yl)pyrimidin-4-yl]carbazole;3,6-dideuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;9-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)phenyl]carbazole
• PubChem CID: 165053334
• Molecular Formula: C247H154B6N12O12
• Molecular Weight: 3635.43 g/mol
• Exact Mass: 3633.79
• IUPAC Name: 9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazole;9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole;3,6-dideuterio-9-[2-[2-(3-deuterio-6-methylcarbazol-9-yl)phenyl]-6-(3,6-dideuteriocarbazol-9-yl)pyrimidin-4-yl]carbazole;3,6-dideuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;9-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)phenyl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c3c1B2c1c([2H])c([2H])c([2H])c(C)c1O3.[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)c43)c([2H])c3c1B2c1c([2H])c([2H])c([2H])c([2H])c1O3.[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c3c1B2c1c([2H])c([2H])c([2H])c([2H])c1O3.[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c(-n3c4ccccc4c4ccccc43)c([2H])c3c1B2c1c([2H])c([2H])c([2H])c(C)c1O3.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc2c3c(c1)Oc1ccccc1B3c1ccccc1O2.[2H]c1ccc2c(c1)c1cc([2H])ccc1n2-c1cc(-n2c3ccc([2H])cc3c3cc([2H])ccc32)nc(-c2ccccc2-n2c3ccc([2H])cc3c3cc(C)ccc32)n1.[2H]c1ccc2c(c1)c1cc([2H])ccc1n2-c1cc2c3c(c1)Oc1ccccc1B3c1ccccc1O2
• InChI: InChI=1S/C47H31N5.C42H25BN2O2.C37H24BNO2.C31H20BNO2.3C30H18BNO2/c1-30-26-27-44-37(28-30)35-18-6-8-20-38(35)50(44)43-25-13-7-19-36(43)47-48-45(51-39-21-9-2-14-31(39)32-15-3-10-22-40(32)51)29-46(49-47)52-41-23-11-4-16-33(41)34-17-5-12-24-42(34)52;1-7-19-34-27(12-1)28-13-2-8-20-35(28)45(34)36-21-11-15-30-29-14-3-6-18-33(29)44(42(30)36)26-24-39-41-40(25-26)47-38-23-10-5-17-32(38)43(41)31-16-4-9-22-37(31)46-39;1-23-11-10-16-29-37(23)41-35-22-24(21-34-36(35)38(29)28-15-5-9-20-33(28)40-34)25-12-2-6-17-30(25)39-31-18-7-3-13-26(31)27-14-4-8-19-32(27)39;1-19-9-8-13-24-31(19)35-29-18-20(17-28-30(29)32(24)23-12-4-7-16-27(23)34-28)33-25-14-5-2-10-21(25)22-11-3-6-15-26(22)33;3*1-5-13-24-20(9-1)21-10-2-6-14-25(21)32(24)19-17-28-30-29(18-19)34-27-16-8-4-12-23(27)31(30)22-11-3-7-15-26(22)33-28/h2-29H,1H3;1-25H;2-22H,1H3;2-18H,1H3;3*1-18H/i2D,3D,4D,5D,6D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D;2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D;4D,7D,8D,9D,12D,13D,16D,17D,18D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D;1D,2D,5D,6D,9D,10D,13D,14D;1D,2D
• InChIKey: QAAJKTFRNKYPHO-YOMZGPEWSA-N
• XLogP: 50.19
• TPSA: 185.84 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 277
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3635.43
LogP ≤ 5	50.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazole;9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole;3,6-dideuterio-9-[2-[2-(3-deuterio-6-methylcarbazol-9-yl)phenyl]-6-(3,6-dideuteriocarbazol-9-yl)pyrimidin-4-yl]carbazole;3,6-dideuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;9-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)phenyl]carbazole?

The IUPAC name of 9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazole;9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole;3,6-dideuterio-9-[2-[2-(3-deuterio-6-methylcarbazol-9-yl)phenyl]-6-(3,6-dideuteriocarbazol-9-yl)pyrimidin-4-yl]carbazole;3,6-dideuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;9-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)phenyl]carbazole (CID 165053334) is 9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazole;9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole;3,6-dideuterio-9-[2-[2-(3-deuterio-6-methylcarbazol-9-yl)phenyl]-6-(3,6-dideuteriocarbazol-9-yl)pyrimidin-4-yl]carbazole;3,6-dideuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;9-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)phenyl]carbazole.

What is the SMILES notation for 9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazole;9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole;3,6-dideuterio-9-[2-[2-(3-deuterio-6-methylcarbazol-9-yl)phenyl]-6-(3,6-dideuteriocarbazol-9-yl)pyrimidin-4-yl]carbazole;3,6-dideuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;9-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)phenyl]carbazole?

The canonical SMILES for 9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazole;9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole;3,6-dideuterio-9-[2-[2-(3-deuterio-6-methylcarbazol-9-yl)phenyl]-6-(3,6-dideuteriocarbazol-9-yl)pyrimidin-4-yl]carbazole;3,6-dideuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;9-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)phenyl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c3c1B2c1c([2H])c([2H])c([2H])c(C)c1O3.[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)c43)c([2H])c3c1B2c1c([2H])c([2H])c([2H])c([2H])c1O3.[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c3c1B2c1c([2H])c([2H])c([2H])c([2H])c1O3.[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c(-n3c4ccccc4c4ccccc43)c([2H])c3c1B2c1c([2H])c([2H])c([2H])c(C)c1O3.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc2c3c(c1)Oc1ccccc1B3c1ccccc1O2.[2H]c1ccc2c(c1)c1cc([2H])ccc1n2-c1cc(-n2c3ccc([2H])cc3c3cc([2H])ccc32)nc(-c2ccccc2-n2c3ccc([2H])cc3c3cc(C)ccc32)n1.[2H]c1ccc2c(c1)c1cc([2H])ccc1n2-c1cc2c3c(c1)Oc1ccccc1B3c1ccccc1O2.

What is the InChIKey of 9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazole;9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole;3,6-dideuterio-9-[2-[2-(3-deuterio-6-methylcarbazol-9-yl)phenyl]-6-(3,6-dideuteriocarbazol-9-yl)pyrimidin-4-yl]carbazole;3,6-dideuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;9-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)phenyl]carbazole?

The InChIKey is QAAJKTFRNKYPHO-YOMZGPEWSA-N. The full InChI is InChI=1S/C47H31N5.C42H25BN2O2.C37H24BNO2.C31H20BNO2.3C30H18BNO2/c1-30-26-27-44-37(28-30)35-18-6-8-20-38(35)50(44)43-25-13-7-19-36(43)47-48-45(51-39-21-9-2-14-31(39)32-15-3-10-22-40(32)51)29-46(49-47)52-41-23-11-4-16-33(41)34-17-5-12-24-42(34)52;1-7-19-34-27(12-1)28-13-2-8-20-35(28)45(34)36-21-11-15-30-29-14-3-6-18-33(29)44(42(30)36)26-24-39-41-40(25-26)47-38-23-10-5-17-32(38)43(41)31-16-4-9-22-37(31)46-39;1-23-11-10-16-29-37(23)41-35-22-24(21-34-36(35)38(29)28-15-5-9-20-33(28)40-34)25-12-2-6-17-30(25)39-31-18-7-3-13-26(31)27-14-4-8-19-32(27)39;1-19-9-8-13-24-31(19)35-29-18-20(17-28-30(29)32(24)23-12-4-7-16-27(23)34-28)33-25-14-5-2-10-21(25)22-11-3-6-15-26(22)33;3*1-5-13-24-20(9-1)21-10-2-6-14-25(21)32(24)19-17-28-30-29(18-19)34-27-16-8-4-12-23(27)31(30)22-11-3-7-15-26(22)33-28/h2-29H,1H3;1-25H;2-22H,1H3;2-18H,1H3;3*1-18H/i2D,3D,4D,5D,6D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D;2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D;4D,7D,8D,9D,12D,13D,16D,17D,18D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D;1D,2D,5D,6D,9D,10D,13D,14D;1D,2D.

What are the key properties of 9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazole;9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole;3,6-dideuterio-9-[2-[2-(3-deuterio-6-methylcarbazol-9-yl)phenyl]-6-(3,6-dideuteriocarbazol-9-yl)pyrimidin-4-yl]carbazole;3,6-dideuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;9-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)phenyl]carbazole?

9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazole;9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole;3,6-dideuterio-9-[2-[2-(3-deuterio-6-methylcarbazol-9-yl)phenyl]-6-(3,6-dideuteriocarbazol-9-yl)pyrimidin-4-yl]carbazole;3,6-dideuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;9-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)phenyl]carbazole has a molecular weight of 3635.43 g/mol, XLogP of 50.19, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazole;9-(3,4,5,6,10,12,16,17,18,19-decadeuterio-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole;3,6-dideuterio-9-[2-[2-(3-deuterio-6-methylcarbazol-9-yl)phenyl]-6-(3,6-dideuteriocarbazol-9-yl)pyrimidin-4-yl]carbazole;3,6-dideuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;9-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-(3,4,5,6,10,12,17,18,19-nonadeuterio-16-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl)phenyl]carbazole is sourced from PubChem (CID 165053334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).