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

C171H105N15S3 — CID 163462279

IUPAC2-[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
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2sc2c(-c4nc(-c5ccccc5)nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)n4)cc(-n4c5ccccc5c5ccccc54)cc23)c([2H])c1[2H].c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3c(-c5ccccc5)cccc34)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3c(-c5ccccc5)cccc34)n2)cc1
InChIInChI=1S/3C57H35N5S/c1-4-17-36(18-5-1)41-26-16-27-46-47-34-40(62-50-29-14-10-23-42(50)43-24-11-15-30-51(43)62)35-48(54(47)63-53(41)46)57-59-55(37-19-6-2-7-20-37)58-56(60-57)38-31-32-45-44-25-12-13-28-49(44)61(52(45)33-38)39-21-8-3-9-22-39;1-4-18-36(19-5-1)40-27-16-29-45-47-34-39(61-49-31-13-10-24-41(49)42-25-11-14-32-50(42)61)35-48(54(47)63-53(40)45)57-59-55(37-20-6-2-7-21-37)58-56(60-57)46-30-17-28-44-43-26-12-15-33-51(43)62(52(44)46)38-22-8-3-9-23-38;1-4-17-36(18-5-1)41-26-16-27-45-47-34-40(62-49-28-13-10-23-42(49)43-24-11-14-29-50(43)62)35-48(54(47)63-53(41)45)57-59-55(37-19-6-2-7-20-37)58-56(60-57)38-31-32-52-46(33-38)44-25-12-15-30-51(44)61(52)39-21-8-3-9-22-39/h3*1-35H/i1D,4D,5D,17D,18D;;
InChIKeyBPPYCFFMQCVFSF-UKOZXPECSA-N
MW2471.06 g/mol
LogP45.31
Rot. Bonds18

About 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

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 (PubChem CID 163462279) has the molecular formula C171H105N15S3 and a molecular weight of 2471.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID163462279
Molecular FormulaC171H105N15S3
Molecular Weight2471.06 g/mol
Exact Mass2468.82
IUPAC Name2-[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
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2sc2c(-c4nc(-c5ccccc5)nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)n4)cc(-n4c5ccccc5c5ccccc54)cc23)c([2H])c1[2H].c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3c(-c5ccccc5)cccc34)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3c(-c5ccccc5)cccc34)n2)cc1
InChIInChI=1S/3C57H35N5S/c1-4-17-36(18-5-1)41-26-16-27-46-47-34-40(62-50-29-14-10-23-42(50)43-24-11-15-30-51(43)62)35-48(54(47)63-53(41)46)57-59-55(37-19-6-2-7-20-37)58-56(60-57)38-31-32-45-44-25-12-13-28-49(44)61(52(45)33-38)39-21-8-3-9-22-39;1-4-18-36(19-5-1)40-27-16-29-45-47-34-39(61-49-31-13-10-24-41(49)42-25-11-14-32-50(42)61)35-48(54(47)63-53(40)45)57-59-55(37-20-6-2-7-21-37)58-56(60-57)46-30-17-28-44-43-26-12-15-33-51(43)62(52(44)46)38-22-8-3-9-23-38;1-4-17-36(18-5-1)41-26-16-27-45-47-34-40(62-49-28-13-10-23-42(49)43-24-11-14-29-50(43)62)35-48(54(47)63-53(41)45)57-59-55(37-19-6-2-7-20-37)58-56(60-57)38-31-32-52-46(33-38)44-25-12-15-30-51(44)61(52)39-21-8-3-9-22-39/h3*1-35H/i1D,4D,5D,17D,18D;;
InChIKeyBPPYCFFMQCVFSF-UKOZXPECSA-N
XLogP45.31
TPSA145.59 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002471.06
LogP ≤ 545.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

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-[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-[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
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
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
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-(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-[3-[4-[2-carbazol-9-yl-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780363
10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 160750252
10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 161495487
9-[4-(2-carbazol-9-yl-8-phenyldibenzothiophen-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 162780614

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2cccc3c2sc2c(-c4nc(-c5ccccc5)nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)n4)cc(-n4c5ccccc5c5ccccc54)cc23)c([2H])c1[2H].c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3c(-c5ccccc5)cccc34)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3c(-c5ccccc5)cccc34)n2)cc1.
What is the InChIKey of 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?
The InChIKey is BPPYCFFMQCVFSF-UKOZXPECSA-N. The full InChI is InChI=1S/3C57H35N5S/c1-4-17-36(18-5-1)41-26-16-27-46-47-34-40(62-50-29-14-10-23-42(50)43-24-11-15-30-51(43)62)35-48(54(47)63-53(41)46)57-59-55(37-19-6-2-7-20-37)58-56(60-57)38-31-32-45-44-25-12-13-28-49(44)61(52(45)33-38)39-21-8-3-9-22-39;1-4-18-36(19-5-1)40-27-16-29-45-47-34-39(61-49-31-13-10-24-41(49)42-25-11-14-32-50(42)61)35-48(54(47)63-53(40)45)57-59-55(37-20-6-2-7-21-37)58-56(60-57)46-30-17-28-44-43-26-12-15-33-51(43)62(52(44)46)38-22-8-3-9-23-38;1-4-17-36(18-5-1)41-26-16-27-45-47-34-40(62-49-28-13-10-23-42(49)43-24-11-14-29-50(43)62)35-48(54(47)63-53(41)45)57-59-55(37-19-6-2-7-20-37)58-56(60-57)38-31-32-52-46(33-38)44-25-12-15-30-51(44)61(52)39-21-8-3-9-22-39/h3*1-35H/i1D,4D,5D,17D,18D;;.
What are the key properties of 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?
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 has a molecular weight of 2471.06 g/mol, XLogP of 45.31, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163462279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).