bis(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]silane;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8,9-octadeuteriobenzo[b][1,4]benzoxaborinin-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole

C142H99B3N10O3Si — CID 167548378

IUPACbis(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]silane;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8,9-octadeuteriobenzo[b][1,4]benzoxaborinin-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c(C)c([2H])c1B2c1c([2H])c([2H])c([2H])c([2H])c1-c1c([2H])c([2H])c([2H])c(-c2nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(C)c([2H])c([2H])c43)n2)c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c([2H])c([2H])c1B2c1c([2H])c([2H])c([2H])c([2H])c1-c1nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(C)c([2H])c([2H])c32)n1.[2H]c1cc([Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3B3c4c([2H])c([2H])c([2H])c([2H])c4Oc4c([2H])c([2H])c(C)c([2H])c43)c2[2H])c([2H])c([2H])c1[2H]
InChIInChI=1S/C53H36BN5O.C46H30BN5O.C43H33BOSi/c1-33-26-28-48-41(30-33)40-19-6-11-24-47(40)59(48)53-56-51(55-52(57-53)58-45-22-9-4-17-38(45)39-18-5-10-23-46(39)58)36-15-13-14-35(32-36)37-16-3-7-20-42(37)54-43-21-8-12-25-49(43)60-50-29-27-34(2)31-44(50)54;1-29-26-27-41-34(28-29)32-16-5-11-23-40(32)52(41)46-49-44(48-45(50-46)51-38-21-9-3-14-30(38)31-15-4-10-22-39(31)51)33-17-2-6-18-35(33)47-36-19-7-12-24-42(36)53-43-25-13-8-20-37(43)47;1-32-28-29-43-41(30-32)44(40-26-13-14-27-42(40)45-43)39-25-12-11-24-38(39)33-16-15-23-37(31-33)46(34-17-5-2-6-18-34,35-19-7-3-8-20-35)36-21-9-4-10-22-36/h3-32H,1-2H3;2-28H,1H3;2-31H,1H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D;2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D;2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,23D,24D,25D,26D,27D,28D,29D,30D,31D
InChIKeyCBZNMADSRLNBME-BDBYRYEESA-N
MW2140.47 g/mol
LogP24.96
Rot. Bonds15

About bis(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]silane;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8,9-octadeuteriobenzo[b][1,4]benzoxaborinin-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole

bis(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]silane;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8,9-octadeuteriobenzo[b][1,4]benzoxaborinin-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 167548378) has the molecular formula C142H99B3N10O3Si and a molecular weight of 2140.47 g/mol. Its IUPAC name is bis(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]silane;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8,9-octadeuteriobenzo[b][1,4]benzoxaborinin-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Namebis(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]silane;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8,9-octadeuteriobenzo[b][1,4]benzoxaborinin-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
PubChem CID167548378
Molecular FormulaC142H99B3N10O3Si
Molecular Weight2140.47 g/mol
Exact Mass2139.33
IUPAC Namebis(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]silane;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8,9-octadeuteriobenzo[b][1,4]benzoxaborinin-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c(C)c([2H])c1B2c1c([2H])c([2H])c([2H])c([2H])c1-c1c([2H])c([2H])c([2H])c(-c2nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(C)c([2H])c([2H])c43)n2)c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c([2H])c([2H])c1B2c1c([2H])c([2H])c([2H])c([2H])c1-c1nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(C)c([2H])c([2H])c32)n1.[2H]c1cc([Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3B3c4c([2H])c([2H])c([2H])c([2H])c4Oc4c([2H])c([2H])c(C)c([2H])c43)c2[2H])c([2H])c([2H])c1[2H]
InChIInChI=1S/C53H36BN5O.C46H30BN5O.C43H33BOSi/c1-33-26-28-48-41(30-33)40-19-6-11-24-47(40)59(48)53-56-51(55-52(57-53)58-45-22-9-4-17-38(45)39-18-5-10-23-46(39)58)36-15-13-14-35(32-36)37-16-3-7-20-42(37)54-43-21-8-12-25-49(43)60-50-29-27-34(2)31-44(50)54;1-29-26-27-41-34(28-29)32-16-5-11-23-40(32)52(41)46-49-44(48-45(50-46)51-38-21-9-3-14-30(38)31-15-4-10-22-39(31)51)33-17-2-6-18-35(33)47-36-19-7-12-24-42(36)53-43-25-13-8-20-37(43)47;1-32-28-29-43-41(30-32)44(40-26-13-14-27-42(40)45-43)39-25-12-11-24-38(39)33-16-15-23-37(31-33)46(34-17-5-2-6-18-34,35-19-7-3-8-20-35)36-21-9-4-10-22-36/h3-32H,1-2H3;2-28H,1H3;2-31H,1H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D;2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D;2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,23D,24D,25D,26D,27D,28D,29D,30D,31D
InChIKeyCBZNMADSRLNBME-BDBYRYEESA-N
XLogP24.96
TPSA124.75 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002140.47
LogP ≤ 524.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze bis(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]silane;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8,9-octadeuteriobenzo[b][1,4]benzoxaborinin-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole with MolForge

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Related Compounds

(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-[1,2,4,5,7,8-hexadeuterio-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,5,6-tetradeuterio-4-phenylphenyl)silane
CID 177070136
[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-tris[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane
CID 177070155
[3-[2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-pyridinyl]-2,4,5,6-tetradeuteriophenyl]-bis(2,3,4,5,6-pentadeuteriophenyl)-(2,3,5,6-tetradeuterio-4-methylphenyl)silane;[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-bis(2,3,4,5,6-pentadeuteriophenyl)-(2,3,5,6-tetradeuterio-4-methylphenyl)silane;bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-(2,3,4,6-tetradeuterio-5-methylphenyl)silane
CID 165107505
[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,6-trideuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane
CID 168800210
bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]-[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 177070026
[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-bis(2,3,4,5,6-pentadeuteriophenyl)-spiro[17-oxahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene-24,9'-fluorene]-20-ylsilane
CID 176635597
[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)-1,2,4,5,6,7,8-heptadeuteriocarbazol-3-yl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane
CID 169045510
tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-(6,7,8,9,10,12-hexadeuterio-[1]benzofuro[3,2-b]carbazol-11-yl)-6-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 177070116
[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-(3-methylphenyl)-phenyl-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]silane
CID 176751578
bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3,5-dideuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-pyridinyl]phenyl]-(2,3,5,6-tetradeuterio-4-methylphenyl)silane
CID 165035122
(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,4,6-tetradeuterio-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane
CID 164843270
(1,3,4,6,7,8,9-heptadeuteriodibenzothiophen-2-yl)-bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 177070181

Frequently Asked Questions

What is the IUPAC name of bis(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]silane;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8,9-octadeuteriobenzo[b][1,4]benzoxaborinin-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of bis(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]silane;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8,9-octadeuteriobenzo[b][1,4]benzoxaborinin-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole (CID 167548378) is bis(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]silane;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8,9-octadeuteriobenzo[b][1,4]benzoxaborinin-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for bis(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]silane;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8,9-octadeuteriobenzo[b][1,4]benzoxaborinin-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for bis(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]silane;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8,9-octadeuteriobenzo[b][1,4]benzoxaborinin-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c(C)c([2H])c1B2c1c([2H])c([2H])c([2H])c([2H])c1-c1c([2H])c([2H])c([2H])c(-c2nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(C)c([2H])c([2H])c43)n2)c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c([2H])c([2H])c1B2c1c([2H])c([2H])c([2H])c([2H])c1-c1nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(C)c([2H])c([2H])c32)n1.[2H]c1cc([Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3B3c4c([2H])c([2H])c([2H])c([2H])c4Oc4c([2H])c([2H])c(C)c([2H])c43)c2[2H])c([2H])c([2H])c1[2H].
What is the InChIKey of bis(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]silane;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8,9-octadeuteriobenzo[b][1,4]benzoxaborinin-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is CBZNMADSRLNBME-BDBYRYEESA-N. The full InChI is InChI=1S/C53H36BN5O.C46H30BN5O.C43H33BOSi/c1-33-26-28-48-41(30-33)40-19-6-11-24-47(40)59(48)53-56-51(55-52(57-53)58-45-22-9-4-17-38(45)39-18-5-10-23-46(39)58)36-15-13-14-35(32-36)37-16-3-7-20-42(37)54-43-21-8-12-25-49(43)60-50-29-27-34(2)31-44(50)54;1-29-26-27-41-34(28-29)32-16-5-11-23-40(32)52(41)46-49-44(48-45(50-46)51-38-21-9-3-14-30(38)31-15-4-10-22-39(31)51)33-17-2-6-18-35(33)47-36-19-7-12-24-42(36)53-43-25-13-8-20-37(43)47;1-32-28-29-43-41(30-32)44(40-26-13-14-27-42(40)45-43)39-25-12-11-24-38(39)33-16-15-23-37(31-33)46(34-17-5-2-6-18-34,35-19-7-3-8-20-35)36-21-9-4-10-22-36/h3-32H,1-2H3;2-28H,1H3;2-31H,1H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D;2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D;2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,23D,24D,25D,26D,27D,28D,29D,30D,31D.
What are the key properties of bis(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]silane;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8,9-octadeuteriobenzo[b][1,4]benzoxaborinin-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
bis(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]silane;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8,9-octadeuteriobenzo[b][1,4]benzoxaborinin-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 2140.47 g/mol, XLogP of 24.96, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]silane;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8,9-octadeuteriobenzo[b][1,4]benzoxaborinin-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-[2,3,4,6-tetradeuterio-5-[2,3,4,5-tetradeuterio-6-(1,3,4,6,7,8,9-heptadeuterio-2-methylbenzo[b][1,4]benzoxaborinin-10-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 167548378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).