9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole

C75H47N5S — CID 174271172

IUPAC9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccccc5)cc4-n4c5cc(-c6ccccc6)ccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)nc(-c4cccc5sc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C75H47N5S/c1-5-21-48(22-6-1)51-27-17-28-54(45-51)73-76-74(78-75(77-73)62-35-20-40-69-72(62)61-32-14-16-39-68(61)81-69)60-44-42-53(50-25-9-3-10-26-50)47-67(60)80-65-38-19-34-57(71(65)59-43-41-52(46-66(59)80)49-23-7-2-8-24-49)56-33-18-37-64-70(56)58-31-13-15-36-63(58)79(64)55-29-11-4-12-30-55/h1-47H
InChIKeyCITFZWUPKBZOPY-UHFFFAOYSA-N
MW1050.30 g/mol
LogP20.10
Rot. Bonds9

About 9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole

9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole (PubChem CID 174271172) has the molecular formula C75H47N5S and a molecular weight of 1050.30 g/mol. Its IUPAC name is 9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole.

Molecular Properties

Compound Name9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
PubChem CID174271172
Molecular FormulaC75H47N5S
Molecular Weight1050.30 g/mol
Exact Mass1049.36
IUPAC Name9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccccc5)cc4-n4c5cc(-c6ccccc6)ccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)nc(-c4cccc5sc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C75H47N5S/c1-5-21-48(22-6-1)51-27-17-28-54(45-51)73-76-74(78-75(77-73)62-35-20-40-69-72(62)61-32-14-16-39-68(61)81-69)60-44-42-53(50-25-9-3-10-26-50)47-67(60)80-65-38-19-34-57(71(65)59-43-41-52(46-66(59)80)49-23-7-2-8-24-49)56-33-18-37-64-70(56)58-31-13-15-36-63(58)79(64)55-29-11-4-12-30-55/h1-47H
InChIKeyCITFZWUPKBZOPY-UHFFFAOYSA-N
XLogP20.10
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001050.30
LogP ≤ 520.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270121
4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273676
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270072
4-[4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 165107113
5-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174270378
4-[3-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146572660
4-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 165098762
2,4-diphenyl-6-[8-(6-phenylphenanthren-3-yl)dibenzothiophen-1-yl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 160827716
4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 160649788
8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-phenylphenyl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 147664565
4-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534355
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole
CID 174272291

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
The IUPAC name of 9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole (CID 174271172) is 9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole.
What is the SMILES notation for 9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
The canonical SMILES for 9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccccc5)cc4-n4c5cc(-c6ccccc6)ccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)nc(-c4cccc5sc6ccccc6c45)n3)c2)cc1.
What is the InChIKey of 9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
The InChIKey is CITFZWUPKBZOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H47N5S/c1-5-21-48(22-6-1)51-27-17-28-54(45-51)73-76-74(78-75(77-73)62-35-20-40-69-72(62)61-32-14-16-39-68(61)81-69)60-44-42-53(50-25-9-3-10-26-50)47-67(60)80-65-38-19-34-57(71(65)59-43-41-52(46-66(59)80)49-23-7-2-8-24-49)56-33-18-37-64-70(56)58-31-13-15-36-63(58)79(64)55-29-11-4-12-30-55/h1-47H.
What are the key properties of 9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole has a molecular weight of 1050.30 g/mol, XLogP of 20.10, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole is sourced from PubChem (CID 174271172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).