9-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]carbazole

C114H71N9S2 — CID 163504345

IUPAC9-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cc(-n6c7ccccc7c7ccccc76)cc6c5sc5c(-c7ccccc7)cccc56)c4)c3)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3ccccc3n4-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3c(-c5ccccc5)cccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C57H35N5S.C57H36N4S/c1-4-18-36(19-5-1)40-27-16-28-43-46-34-39(61-47-30-13-10-24-41(47)42-25-11-14-31-48(42)61)35-51(54(46)63-53(40)43)62-49-32-15-12-26-44(49)52-45(29-17-33-50(52)62)57-59-55(37-20-6-2-7-21-37)58-56(60-57)38-22-8-3-9-23-38;1-4-17-37(18-5-1)45-29-16-30-48-50-36-44(61-51-31-12-10-27-46(51)47-28-11-13-32-52(47)61)35-49(54(50)62-53(45)48)42-25-14-23-40(33-42)41-24-15-26-43(34-41)57-59-55(38-19-6-2-7-20-38)58-56(60-57)39-21-8-3-9-22-39/h1-35H;1-36H/i2D,6D,7D,20D,21D;2D,6D,7D,19D,20D
InChIKeyCXIPUNVBTIFEKM-GYWFICHASA-N
MW1641.08 g/mol
LogP30.44
Rot. Bonds13

About 9-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]carbazole

9-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]carbazole (PubChem CID 163504345) has the molecular formula C114H71N9S2 and a molecular weight of 1641.08 g/mol. Its IUPAC name is 9-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]carbazole
PubChem CID163504345
Molecular FormulaC114H71N9S2
Molecular Weight1641.08 g/mol
Exact Mass1639.59
IUPAC Name9-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cc(-n6c7ccccc7c7ccccc76)cc6c5sc5c(-c7ccccc7)cccc56)c4)c3)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3ccccc3n4-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3c(-c5ccccc5)cccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C57H35N5S.C57H36N4S/c1-4-18-36(19-5-1)40-27-16-28-43-46-34-39(61-47-30-13-10-24-41(47)42-25-11-14-31-48(42)61)35-51(54(46)63-53(40)43)62-49-32-15-12-26-44(49)52-45(29-17-33-50(52)62)57-59-55(37-20-6-2-7-21-37)58-56(60-57)38-22-8-3-9-23-38;1-4-17-37(18-5-1)45-29-16-30-48-50-36-44(61-51-31-12-10-27-46(51)47-28-11-13-32-52(47)61)35-49(54(50)62-53(45)48)42-25-14-23-40(33-42)41-24-15-26-43(34-41)57-59-55(38-19-6-2-7-20-38)58-56(60-57)39-21-8-3-9-22-39/h1-35H;1-36H/i2D,6D,7D,20D,21D;2D,6D,7D,19D,20D
InChIKeyCXIPUNVBTIFEKM-GYWFICHASA-N
XLogP30.44
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001641.08
LogP ≤ 530.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 9-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]carbazole with MolForge

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Related Compounds

9-[4-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 162780364
9-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[3-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]-2-phenylcarbazole
CID 163918399
9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]carbazole
CID 162780360
2-fluoro-9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 162780424
12-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 162780300
9-[6-carbazol-9-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole
CID 156548784
2-[4-[2-carbazol-9-yl-7-(3-phenylphenyl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;1-[4-[2-carbazol-9-yl-7-(3-phenylphenyl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;4-[4-[2-carbazol-9-yl-7-(3-phenylphenyl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 163558048
9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzothiophen-2-yl]-2-pyridin-2-ylcarbazole
CID 162780589
9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenyldibenzothiophen-2-yl]carbazole
CID 162780481
12-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 162780410
7,7-dimethyl-5-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole
CID 162780764
2-[4-[2-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;1-[4-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-[4-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 163462279

Frequently Asked Questions

What is the IUPAC name of 9-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]carbazole (CID 163504345) is 9-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cc(-n6c7ccccc7c7ccccc76)cc6c5sc5c(-c7ccccc7)cccc56)c4)c3)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3ccccc3n4-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3c(-c5ccccc5)cccc34)n2)c([2H])c1[2H].
What is the InChIKey of 9-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]carbazole?
The InChIKey is CXIPUNVBTIFEKM-GYWFICHASA-N. The full InChI is InChI=1S/C57H35N5S.C57H36N4S/c1-4-18-36(19-5-1)40-27-16-28-43-46-34-39(61-47-30-13-10-24-41(47)42-25-11-14-31-48(42)61)35-51(54(46)63-53(40)43)62-49-32-15-12-26-44(49)52-45(29-17-33-50(52)62)57-59-55(37-20-6-2-7-21-37)58-56(60-57)38-22-8-3-9-23-38;1-4-17-37(18-5-1)45-29-16-30-48-50-36-44(61-51-31-12-10-27-46(51)47-28-11-13-32-52(47)61)35-49(54(50)62-53(45)48)42-25-14-23-40(33-42)41-24-15-26-43(34-41)57-59-55(38-19-6-2-7-20-38)58-56(60-57)39-21-8-3-9-22-39/h1-35H;1-36H/i2D,6D,7D,20D,21D;2D,6D,7D,19D,20D.
What are the key properties of 9-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]carbazole?
9-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]carbazole has a molecular weight of 1641.08 g/mol, XLogP of 30.44, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-carbazol-9-yl-6-phenyldibenzothiophen-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyldibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 163504345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).