9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole

C59H40N4S — CID 155232421

IUPAC9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4ccc(-c5cccc6c5sc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C59H40N4S/c1-37-20-24-39(25-21-37)43-28-31-47-48-32-29-44(40-26-22-38(2)23-27-40)36-54(48)63(53(47)35-43)52-33-30-45(46-17-11-18-50-49-16-9-10-19-55(49)64-56(46)50)34-51(52)59-61-57(41-12-5-3-6-13-41)60-58(62-59)42-14-7-4-8-15-42/h3-36H,1-2H3
InChIKeyWQRIIOGQZZMDGO-UHFFFAOYSA-N
MW837.06 g/mol
LogP15.96
Rot. Bonds7

About 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole

9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole (PubChem CID 155232421) has the molecular formula C59H40N4S and a molecular weight of 837.06 g/mol. Its IUPAC name is 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole
PubChem CID155232421
Molecular FormulaC59H40N4S
Molecular Weight837.06 g/mol
Exact Mass836.30
IUPAC Name9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4ccc(-c5cccc6c5sc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C59H40N4S/c1-37-20-24-39(25-21-37)43-28-31-47-48-32-29-44(40-26-22-38(2)23-27-40)36-54(48)63(53(47)35-43)52-33-30-45(46-17-11-18-50-49-16-9-10-19-55(49)64-56(46)50)34-51(52)59-61-57(41-12-5-3-6-13-41)60-58(62-59)42-14-7-4-8-15-42/h3-36H,1-2H3
InChIKeyWQRIIOGQZZMDGO-UHFFFAOYSA-N
XLogP15.96
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.06
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
CID 155232875
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
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-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
CID 155233274
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-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole
CID 155232386
3-deuterio-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylcarbazole
CID 172525872
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
5-[2-dibenzothiophen-4-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155475141
9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole
CID 155628117
2-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole;2-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)phenyl]carbazole
CID 164977559

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]-2,7-bis(4-methylphenyl)carbazole?
The IUPAC name of 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole (CID 155232421) is 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole.
What is the SMILES notation for 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole?
The canonical SMILES for 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole is Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4ccc(-c5cccc6c5sc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.
What is the InChIKey of 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole?
The InChIKey is WQRIIOGQZZMDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N4S/c1-37-20-24-39(25-21-37)43-28-31-47-48-32-29-44(40-26-22-38(2)23-27-40)36-54(48)63(53(47)35-43)52-33-30-45(46-17-11-18-50-49-16-9-10-19-55(49)64-56(46)50)34-51(52)59-61-57(41-12-5-3-6-13-41)60-58(62-59)42-14-7-4-8-15-42/h3-36H,1-2H3.
What are the key properties of 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole?
9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole has a molecular weight of 837.06 g/mol, XLogP of 15.96, 7 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]-2,7-bis(4-methylphenyl)carbazole is sourced from PubChem (CID 155232421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).