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

C50H33N7S — CID 155232271

IUPAC9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
SMILESCc1nc(C)nc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)n1
InChIInChI=1S/C50H33N7S/c1-30-51-31(2)53-49(52-30)36-21-24-38-37-17-9-11-19-42(37)57(44(38)29-36)43-25-22-34(35-23-26-46-40(27-35)39-18-10-12-20-45(39)58-46)28-41(43)50-55-47(32-13-5-3-6-14-32)54-48(56-50)33-15-7-4-8-16-33/h3-29H,1-2H3
InChIKeyHVNVBCHPHBMCCK-UHFFFAOYSA-N
MW763.93 g/mol
LogP12.47
Rot. Bonds6

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

9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 155232271) has the molecular formula C50H33N7S and a molecular weight of 763.93 g/mol. Its IUPAC name is 9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
PubChem CID155232271
Molecular FormulaC50H33N7S
Molecular Weight763.93 g/mol
Exact Mass763.25
IUPAC Name9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
SMILESCc1nc(C)nc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)n1
InChIInChI=1S/C50H33N7S/c1-30-51-31(2)53-49(52-30)36-21-24-38-37-17-9-11-19-42(37)57(44(38)29-36)43-25-22-34(35-23-26-46-40(27-35)39-18-10-12-20-45(39)58-46)28-41(43)50-55-47(32-13-5-3-6-14-32)54-48(56-50)33-15-7-4-8-16-33/h3-29H,1-2H3
InChIKeyHVNVBCHPHBMCCK-UHFFFAOYSA-N
XLogP12.47
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.93
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole with MolForge

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Related Compounds

9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155233047
9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 142577032
9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 155232399
9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438015
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 137414472
11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 147613320
9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
CID 155233274
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 155232297
9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole
CID 155232386
9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534418
9-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
CID 155120615
9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
CID 177287155

Frequently Asked Questions

What is the IUPAC name of 9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole (CID 155232271) is 9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole is Cc1nc(C)nc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)n1.
What is the InChIKey of 9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is HVNVBCHPHBMCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N7S/c1-30-51-31(2)53-49(52-30)36-21-24-38-37-17-9-11-19-42(37)57(44(38)29-36)43-25-22-34(35-23-26-46-40(27-35)39-18-10-12-20-45(39)58-46)28-41(43)50-55-47(32-13-5-3-6-14-32)54-48(56-50)33-15-7-4-8-16-33/h3-29H,1-2H3.
What are the key properties of 9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?
9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 763.93 g/mol, XLogP of 12.47, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 155232271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).