9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole

C51H31N5S — CID 174170365

IUPAC9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)sc4cc(-c6nc(-c7ccccc7)nc(-n7c8ccccc8c8ccccc87)n6)ccc45)c3c2)cc1
InChIInChI=1S/C51H31N5S/c1-3-13-32(14-4-1)34-23-26-40-39-19-7-10-20-43(39)55(46(40)29-34)36-25-28-42-41-27-24-35(30-47(41)57-48(42)31-36)50-52-49(33-15-5-2-6-16-33)53-51(54-50)56-44-21-11-8-17-37(44)38-18-9-12-22-45(38)56/h1-31H
InChIKeyWHYQMHLUVNAFKB-UHFFFAOYSA-N
MW745.91 g/mol
LogP13.43
Rot. Bonds5

About 9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole

9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole (PubChem CID 174170365) has the molecular formula C51H31N5S and a molecular weight of 745.91 g/mol. Its IUPAC name is 9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
PubChem CID174170365
Molecular FormulaC51H31N5S
Molecular Weight745.91 g/mol
Exact Mass745.23
IUPAC Name9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)sc4cc(-c6nc(-c7ccccc7)nc(-n7c8ccccc8c8ccccc87)n6)ccc45)c3c2)cc1
InChIInChI=1S/C51H31N5S/c1-3-13-32(14-4-1)34-23-26-40-39-19-7-10-20-43(39)55(46(40)29-34)36-25-28-42-41-27-24-35(30-47(41)57-48(42)31-36)50-52-49(33-15-5-2-6-16-33)53-51(54-50)56-44-21-11-8-17-37(44)38-18-9-12-22-45(38)56/h1-31H
InChIKeyWHYQMHLUVNAFKB-UHFFFAOYSA-N
XLogP13.43
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.91
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-2-phenylcarbazole
CID 154624436
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
CID 166953184
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011175
9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742562
3-(4-carbazol-9-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 163774507
2-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 118154600
2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
CID 146179575
11-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 134168992
9-(4-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438054
9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 146664265
9-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572632
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane
CID 144659402

Frequently Asked Questions

What is the IUPAC name of 9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole?
The IUPAC name of 9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole (CID 174170365) is 9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole.
What is the SMILES notation for 9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole?
The canonical SMILES for 9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)sc4cc(-c6nc(-c7ccccc7)nc(-n7c8ccccc8c8ccccc87)n6)ccc45)c3c2)cc1.
What is the InChIKey of 9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole?
The InChIKey is WHYQMHLUVNAFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5S/c1-3-13-32(14-4-1)34-23-26-40-39-19-7-10-20-43(39)55(46(40)29-34)36-25-28-42-41-27-24-35(30-47(41)57-48(42)31-36)50-52-49(33-15-5-2-6-16-33)53-51(54-50)56-44-21-11-8-17-37(44)38-18-9-12-22-45(38)56/h1-31H.
What are the key properties of 9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole?
9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole has a molecular weight of 745.91 g/mol, XLogP of 13.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole is sourced from PubChem (CID 174170365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).