9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-2-yl]carbazole;9-[6-carbazol-9-yl-2-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]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-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole

C276H175N31 — CID 164955397

IUPAC9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-2-yl]carbazole;9-[6-carbazol-9-yl-2-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]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-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILES[2H]c1c(-c2c([2H])c([2H])c([2H])c([2H])c2-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)nc1-n1c2ccccc2c2ccccc21.[2H]c1c(-n2c3ccccc3c3ccccc32)nc(-c2c([2H])c([2H])c([2H])c([2H])c2-n2c3ccccc3c3ccccc32)nc1-n1c2ccccc2c2ccccc21.[2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)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])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c1[2H].[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3ccccc32)c(-c2c([2H])c(-n3c4ccccc4c4ccccc43)c([2H])c(-n3c4ccccc4c4ccccc43)c2[2H])c1[2H].[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3ccccc32)c(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c1[2H]
InChIInChI=1S/C48H31N3.C46H30N6.2C46H29N5.2C45H28N6/c1-8-22-42(51-47-27-13-6-20-40(47)41-21-7-14-28-48(41)51)35(15-1)32-29-33(49-43-23-9-2-16-36(43)37-17-3-10-24-44(37)49)31-34(30-32)50-45-25-11-4-18-38(45)39-19-5-12-26-46(39)50;1-29-26-27-43-36(28-29)34-18-6-12-24-41(34)52(43)46-48-44(47-45(49-46)51-39-22-10-4-16-32(39)33-17-5-11-23-40(33)51)35-19-7-13-25-42(35)50-37-20-8-2-14-30(37)31-15-3-9-21-38(31)50;1-8-22-38-30(15-1)31-16-2-9-23-39(31)49(38)44-28-14-7-21-36(44)37-29-45(50-40-24-10-3-17-32(40)33-18-4-11-25-41(33)50)48-46(47-37)51-42-26-12-5-19-34(42)35-20-6-13-27-43(35)51;1-8-22-37-30(15-1)31-16-2-9-23-38(31)49(37)43-28-14-7-21-36(43)46-47-44(50-39-24-10-3-17-32(39)33-18-4-11-25-40(33)50)29-45(48-46)51-41-26-12-5-19-34(41)35-20-6-13-27-42(35)51;2*1-8-22-36-29(15-1)30-16-2-9-23-37(30)49(36)42-28-14-7-21-35(42)43-46-44(50-38-24-10-3-17-31(38)32-18-4-11-25-39(32)50)48-45(47-43)51-40-26-12-5-19-33(40)34-20-6-13-27-41(34)51/h1-31H;2-28H,1H3;2*1-29H;2*1-28H/i1D,8D,15D,22D,29D,30D,31D;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;2*7D,14D,21D,28D,29D;1D,2D,7D,8D,9D,14D,15D,16D,21D,22D,23D,28D;7D,14D,21D,28D
InChIKeyBCIPFLFZAPBTPT-BCSGPVDVSA-N
MW3986.02 g/mol
LogP68.31
Rot. Bonds24

About 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-2-yl]carbazole;9-[6-carbazol-9-yl-2-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]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-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole

9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-2-yl]carbazole;9-[6-carbazol-9-yl-2-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]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-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 164955397) has the molecular formula C276H175N31 and a molecular weight of 3986.02 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-2-yl]carbazole;9-[6-carbazol-9-yl-2-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]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-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-2-yl]carbazole;9-[6-carbazol-9-yl-2-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]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-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID164955397
Molecular FormulaC276H175N31
Molecular Weight3986.02 g/mol
Exact Mass3982.84
IUPAC Name9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-2-yl]carbazole;9-[6-carbazol-9-yl-2-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]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-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILES[2H]c1c(-c2c([2H])c([2H])c([2H])c([2H])c2-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)nc1-n1c2ccccc2c2ccccc21.[2H]c1c(-n2c3ccccc3c3ccccc32)nc(-c2c([2H])c([2H])c([2H])c([2H])c2-n2c3ccccc3c3ccccc32)nc1-n1c2ccccc2c2ccccc21.[2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)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])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c1[2H].[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3ccccc32)c(-c2c([2H])c(-n3c4ccccc4c4ccccc43)c([2H])c(-n3c4ccccc4c4ccccc43)c2[2H])c1[2H].[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3ccccc32)c(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c1[2H]
InChIInChI=1S/C48H31N3.C46H30N6.2C46H29N5.2C45H28N6/c1-8-22-42(51-47-27-13-6-20-40(47)41-21-7-14-28-48(41)51)35(15-1)32-29-33(49-43-23-9-2-16-36(43)37-17-3-10-24-44(37)49)31-34(30-32)50-45-25-11-4-18-38(45)39-19-5-12-26-46(39)50;1-29-26-27-43-36(28-29)34-18-6-12-24-41(34)52(43)46-48-44(47-45(49-46)51-39-22-10-4-16-32(39)33-17-5-11-23-40(33)51)35-19-7-13-25-42(35)50-37-20-8-2-14-30(37)31-15-3-9-21-38(31)50;1-8-22-38-30(15-1)31-16-2-9-23-39(31)49(38)44-28-14-7-21-36(44)37-29-45(50-40-24-10-3-17-32(40)33-18-4-11-25-41(33)50)48-46(47-37)51-42-26-12-5-19-34(42)35-20-6-13-27-43(35)51;1-8-22-37-30(15-1)31-16-2-9-23-38(31)49(37)43-28-14-7-21-36(43)46-47-44(50-39-24-10-3-17-32(39)33-18-4-11-25-40(33)50)29-45(48-46)51-41-26-12-5-19-34(41)35-20-6-13-27-42(35)51;2*1-8-22-36-29(15-1)30-16-2-9-23-37(30)49(36)42-28-14-7-21-35(42)43-46-44(50-38-24-10-3-17-31(38)32-18-4-11-25-39(32)50)48-45(47-43)51-40-26-12-5-19-33(40)34-20-6-13-27-41(34)51/h1-31H;2-28H,1H3;2*1-29H;2*1-28H/i1D,8D,15D,22D,29D,30D,31D;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;2*7D,14D,21D,28D,29D;1D,2D,7D,8D,9D,14D,15D,16D,21D,22D,23D,28D;7D,14D,21D,28D
InChIKeyBCIPFLFZAPBTPT-BCSGPVDVSA-N
XLogP68.31
TPSA256.31 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms307
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003986.02
LogP ≤ 568.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-2-yl]carbazole;9-[6-carbazol-9-yl-2-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]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-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[6-carbazol-9-yl-2-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-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-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165042034
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[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]carbazole
CID 171578351
1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164788520
9-[2-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)pyrimidin-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578640
9-[6-carbazol-9-yl-2-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)pyrimidin-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578607
9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]carbazole
CID 164788572
1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]-6-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171578517
1,2,3,4,5,6,7,8-octadeuterio-9-[3,5-dideuterio-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]-2-pyridinyl]carbazole
CID 164788563
9-[2-[4-carbazol-9-yl-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578328
9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578357
9-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazole;9-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4,5,7,8-hexadeuterio-3-methyl-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole
CID 167611883
5-[2,3,4,5-tetradeuterio-6-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[3,2-b]indole
CID 176634562

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-2-yl]carbazole;9-[6-carbazol-9-yl-2-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]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-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-2-yl]carbazole;9-[6-carbazol-9-yl-2-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]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-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 164955397) is 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-2-yl]carbazole;9-[6-carbazol-9-yl-2-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]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-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-2-yl]carbazole;9-[6-carbazol-9-yl-2-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]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-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-2-yl]carbazole;9-[6-carbazol-9-yl-2-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]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-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole is [2H]c1c(-c2c([2H])c([2H])c([2H])c([2H])c2-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)nc1-n1c2ccccc2c2ccccc21.[2H]c1c(-n2c3ccccc3c3ccccc32)nc(-c2c([2H])c([2H])c([2H])c([2H])c2-n2c3ccccc3c3ccccc32)nc1-n1c2ccccc2c2ccccc21.[2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)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])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c1[2H].[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3ccccc32)c(-c2c([2H])c(-n3c4ccccc4c4ccccc43)c([2H])c(-n3c4ccccc4c4ccccc43)c2[2H])c1[2H].[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3ccccc32)c(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c1[2H].
What is the InChIKey of 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-2-yl]carbazole;9-[6-carbazol-9-yl-2-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]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-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is BCIPFLFZAPBTPT-BCSGPVDVSA-N. The full InChI is InChI=1S/C48H31N3.C46H30N6.2C46H29N5.2C45H28N6/c1-8-22-42(51-47-27-13-6-20-40(47)41-21-7-14-28-48(41)51)35(15-1)32-29-33(49-43-23-9-2-16-36(43)37-17-3-10-24-44(37)49)31-34(30-32)50-45-25-11-4-18-38(45)39-19-5-12-26-46(39)50;1-29-26-27-43-36(28-29)34-18-6-12-24-41(34)52(43)46-48-44(47-45(49-46)51-39-22-10-4-16-32(39)33-17-5-11-23-40(33)51)35-19-7-13-25-42(35)50-37-20-8-2-14-30(37)31-15-3-9-21-38(31)50;1-8-22-38-30(15-1)31-16-2-9-23-39(31)49(38)44-28-14-7-21-36(44)37-29-45(50-40-24-10-3-17-32(40)33-18-4-11-25-41(33)50)48-46(47-37)51-42-26-12-5-19-34(42)35-20-6-13-27-43(35)51;1-8-22-37-30(15-1)31-16-2-9-23-38(31)49(37)43-28-14-7-21-36(43)46-47-44(50-39-24-10-3-17-32(39)33-18-4-11-25-40(33)50)29-45(48-46)51-41-26-12-5-19-34(41)35-20-6-13-27-42(35)51;2*1-8-22-36-29(15-1)30-16-2-9-23-37(30)49(36)42-28-14-7-21-35(42)43-46-44(50-38-24-10-3-17-31(38)32-18-4-11-25-39(32)50)48-45(47-43)51-40-26-12-5-19-33(40)34-20-6-13-27-41(34)51/h1-31H;2-28H,1H3;2*1-29H;2*1-28H/i1D,8D,15D,22D,29D,30D,31D;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;2*7D,14D,21D,28D,29D;1D,2D,7D,8D,9D,14D,15D,16D,21D,22D,23D,28D;7D,14D,21D,28D.
What are the key properties of 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-2-yl]carbazole;9-[6-carbazol-9-yl-2-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]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-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-2-yl]carbazole;9-[6-carbazol-9-yl-2-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]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-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 3986.02 g/mol, XLogP of 68.31, 24 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-2-yl]carbazole;9-[6-carbazol-9-yl-2-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-5-deuteriopyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]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-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 164955397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).