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

C52H34N4S — CID 155232875

IUPAC9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
SMILESCc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c3sc3ccccc34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C52H34N4S/c1-33-14-12-19-36(30-33)37-26-28-46-43(31-37)40-20-8-10-24-45(40)56(46)47-29-27-38(39-22-13-23-42-41-21-9-11-25-48(41)57-49(39)42)32-44(47)52-54-50(34-15-4-2-5-16-34)53-51(55-52)35-17-6-3-7-18-35/h2-32H,1H3
InChIKeyYNPVXXCHCGHDCH-UHFFFAOYSA-N
MW746.94 g/mol
LogP13.98
Rot. Bonds6

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

9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole (PubChem CID 155232875) has the molecular formula C52H34N4S and a molecular weight of 746.94 g/mol. Its IUPAC name is 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
PubChem CID155232875
Molecular FormulaC52H34N4S
Molecular Weight746.94 g/mol
Exact Mass746.25
IUPAC Name9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
SMILESCc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c3sc3ccccc34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C52H34N4S/c1-33-14-12-19-36(30-33)37-26-28-46-43(31-37)40-20-8-10-24-45(40)56(46)47-29-27-38(39-22-13-23-42-41-21-9-11-25-48(41)57-49(39)42)32-44(47)52-54-50(34-15-4-2-5-16-34)53-51(55-52)35-17-6-3-7-18-35/h2-32H,1H3
InChIKeyYNPVXXCHCGHDCH-UHFFFAOYSA-N
XLogP13.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.94
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-deuterio-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylcarbazole
CID 172525872
9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole
CID 155232421
3,6-di(carbazol-9-yl)-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 155233234
9-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 153176300
9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 155232338
3-dibenzothiophen-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 165005678
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 155628027
9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 138599575
2-dibenzothiophen-4-yl-9-[2-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165032572
2-(3-dibenzothiophen-4-ylphenyl)-4-[4-(3-methylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170201940
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-dibenzothiophen-4-ylcarbazole;2-dibenzothiophen-4-yl-9-[2-phenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165033898
9-[4-(2-carbazol-9-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 155279556

Frequently Asked Questions

What is the IUPAC name of 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole?
The IUPAC name of 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole (CID 155232875) is 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole.
What is the SMILES notation for 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole?
The canonical SMILES for 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole is Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c3sc3ccccc34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole?
The InChIKey is YNPVXXCHCGHDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4S/c1-33-14-12-19-36(30-33)37-26-28-46-43(31-37)40-20-8-10-24-45(40)56(46)47-29-27-38(39-22-13-23-42-41-21-9-11-25-48(41)57-49(39)42)32-44(47)52-54-50(34-15-4-2-5-16-34)53-51(55-52)35-17-6-3-7-18-35/h2-32H,1H3.
What are the key properties of 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole?
9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole has a molecular weight of 746.94 g/mol, XLogP of 13.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole is sourced from PubChem (CID 155232875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).