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

C211H136N22 — CID 167611883

IUPAC9-[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
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(C)c([2H])c([2H])c1n2-c1cccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C57H36N6.C52H34N6.2C51H33N5/c1-2-16-37(17-3-1)55-58-56(38-18-14-20-40(34-38)61-49-27-9-4-22-43(49)44-23-5-10-28-50(44)61)60-57(59-55)39-19-15-21-41(35-39)62-53-31-13-8-26-47(53)48-36-42(32-33-54(48)62)63-51-29-11-6-24-45(51)46-25-7-12-30-52(46)63;1-33-26-28-48-42(30-33)43-32-37(57-44-22-9-5-18-38(44)39-19-6-10-23-45(39)57)27-29-49(43)56(48)36-17-13-16-35(31-36)51-53-50(34-14-3-2-4-15-34)54-52(55-51)58-46-24-11-7-20-40(46)41-21-8-12-25-47(41)58;1-3-15-34(16-4-1)36-19-13-20-37(31-36)50-52-49(35-17-5-2-6-18-35)53-51(54-50)38-21-14-22-39(32-38)55-47-28-12-9-25-43(47)44-33-40(29-30-48(44)55)56-45-26-10-7-23-41(45)42-24-8-11-27-46(42)56;1-3-14-34(15-4-1)35-26-28-37(29-27-35)50-52-49(36-16-5-2-6-17-36)53-51(54-50)38-18-13-19-39(32-38)55-47-25-12-9-22-43(47)44-33-40(30-31-48(44)55)56-45-23-10-7-20-41(45)42-21-8-11-24-46(42)56/h1-36H;2-32H,1H3;2*1-33H/i6D,7D,8D,11D,12D,13D,24D,25D,26D,29D,30D,31D,32D,33D,36D;5D,6D,9D,10D,18D,19D,22D,23D,26D,27D,28D,29D,30D,32D;7D,8D,9D,10D,11D,12D,23D,24D,25D,26D,27D,28D,29D,30D,33D;7D,8D,9D,10D,11D,12D,20D,21D,22D,23D,24D,25D,30D,31D,33D
InChIKeyLEAMQAJPXPGOGJ-NGIWRMEJSA-N
MW3038.92 g/mol
LogP52.44
Rot. Bonds23

About 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

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 (PubChem CID 167611883) has the molecular formula C211H136N22 and a molecular weight of 3038.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID167611883
Molecular FormulaC211H136N22
Molecular Weight3038.92 g/mol
Exact Mass3036.50
IUPAC Name9-[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
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(C)c([2H])c([2H])c1n2-c1cccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C57H36N6.C52H34N6.2C51H33N5/c1-2-16-37(17-3-1)55-58-56(38-18-14-20-40(34-38)61-49-27-9-4-22-43(49)44-23-5-10-28-50(44)61)60-57(59-55)39-19-15-21-41(35-39)62-53-31-13-8-26-47(53)48-36-42(32-33-54(48)62)63-51-29-11-6-24-45(51)46-25-7-12-30-52(46)63;1-33-26-28-48-42(30-33)43-32-37(57-44-22-9-5-18-38(44)39-19-6-10-23-45(39)57)27-29-49(43)56(48)36-17-13-16-35(31-36)51-53-50(34-14-3-2-4-15-34)54-52(55-51)58-46-24-11-7-20-40(46)41-21-8-12-25-47(41)58;1-3-15-34(16-4-1)36-19-13-20-37(31-36)50-52-49(35-17-5-2-6-18-35)53-51(54-50)38-21-14-22-39(32-38)55-47-28-12-9-25-43(47)44-33-40(29-30-48(44)55)56-45-26-10-7-23-41(45)42-24-8-11-27-46(42)56;1-3-14-34(15-4-1)35-26-28-37(29-27-35)50-52-49(36-16-5-2-6-17-36)53-51(54-50)38-18-13-19-39(32-38)55-47-25-12-9-22-43(47)44-33-40(30-31-48(44)55)56-45-23-10-7-20-41(45)42-21-8-11-24-46(42)56/h1-36H;2-32H,1H3;2*1-33H/i6D,7D,8D,11D,12D,13D,24D,25D,26D,29D,30D,31D,32D,33D,36D;5D,6D,9D,10D,18D,19D,22D,23D,26D,27D,28D,29D,30D,32D;7D,8D,9D,10D,11D,12D,23D,24D,25D,26D,27D,28D,29D,30D,33D;7D,8D,9D,10D,11D,12D,20D,21D,22D,23D,24D,25D,30D,31D,33D
InChIKeyLEAMQAJPXPGOGJ-NGIWRMEJSA-N
XLogP52.44
TPSA203.98 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003038.92
LogP ≤ 552.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Related Compounds

9-[3-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 164959848
9-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 165051393
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818
3-[9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-[4-[3-[4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 155257157
1,2,3,4-tetradeuterio-7-(4-phenylphenyl)-9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 177275449
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 134236821
9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 177124510
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-(2,6-dideuteriophenyl)phenyl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 170517742
7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 162424953
1,2,3,4,5,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 172519979
11-(3-phenylphenyl)-12-[4-(4-phenylphenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 163502479

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(C)c([2H])c([2H])c1n2-c1cccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)n2)c1.
What is the InChIKey of 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?
The InChIKey is LEAMQAJPXPGOGJ-NGIWRMEJSA-N. The full InChI is InChI=1S/C57H36N6.C52H34N6.2C51H33N5/c1-2-16-37(17-3-1)55-58-56(38-18-14-20-40(34-38)61-49-27-9-4-22-43(49)44-23-5-10-28-50(44)61)60-57(59-55)39-19-15-21-41(35-39)62-53-31-13-8-26-47(53)48-36-42(32-33-54(48)62)63-51-29-11-6-24-45(51)46-25-7-12-30-52(46)63;1-33-26-28-48-42(30-33)43-32-37(57-44-22-9-5-18-38(44)39-19-6-10-23-45(39)57)27-29-49(43)56(48)36-17-13-16-35(31-36)51-53-50(34-14-3-2-4-15-34)54-52(55-51)58-46-24-11-7-20-40(46)41-21-8-12-25-47(41)58;1-3-15-34(16-4-1)36-19-13-20-37(31-36)50-52-49(35-17-5-2-6-18-35)53-51(54-50)38-21-14-22-39(32-38)55-47-28-12-9-25-43(47)44-33-40(29-30-48(44)55)56-45-26-10-7-23-41(45)42-24-8-11-27-46(42)56;1-3-14-34(15-4-1)35-26-28-37(29-27-35)50-52-49(36-16-5-2-6-17-36)53-51(54-50)38-18-13-19-39(32-38)55-47-25-12-9-22-43(47)44-33-40(30-31-48(44)55)56-45-23-10-7-20-41(45)42-21-8-11-24-46(42)56/h1-36H;2-32H,1H3;2*1-33H/i6D,7D,8D,11D,12D,13D,24D,25D,26D,29D,30D,31D,32D,33D,36D;5D,6D,9D,10D,18D,19D,22D,23D,26D,27D,28D,29D,30D,32D;7D,8D,9D,10D,11D,12D,23D,24D,25D,26D,27D,28D,29D,30D,33D;7D,8D,9D,10D,11D,12D,20D,21D,22D,23D,24D,25D,30D,31D,33D.
What are the key properties of 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?
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 has a molecular weight of 3038.92 g/mol, XLogP of 52.44, 23 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167611883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).