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

C51H31N5S — CID 168742562

IUPAC9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6ccc7c(c6)sc6ccccc67)cc5)nc(-n5c6ccccc6c6ccccc65)n4)c3c2)cc1
InChIInChI=1S/C51H31N5S/c1-2-12-32(13-3-1)35-26-28-40-39-16-6-10-20-45(39)56(46(40)30-35)51-53-49(52-50(54-51)55-43-18-8-4-14-37(43)38-15-5-9-19-44(38)55)34-24-22-33(23-25-34)36-27-29-42-41-17-7-11-21-47(41)57-48(42)31-36/h1-31H
InChIKeyFNIFMCCUHAELKX-UHFFFAOYSA-N
MW745.91 g/mol
LogP13.43
Rot. Bonds5

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

9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole (PubChem CID 168742562) has the molecular formula C51H31N5S and a molecular weight of 745.91 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
PubChem CID168742562
Molecular FormulaC51H31N5S
Molecular Weight745.91 g/mol
Exact Mass745.23
IUPAC Name9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6ccc7c(c6)sc6ccccc67)cc5)nc(-n5c6ccccc6c6ccccc65)n4)c3c2)cc1
InChIInChI=1S/C51H31N5S/c1-2-12-32(13-3-1)35-26-28-40-39-16-6-10-20-45(39)56(46(40)30-35)51-53-49(52-50(54-51)55-43-18-8-4-14-37(43)38-15-5-9-19-44(38)55)34-24-22-33(23-25-34)36-27-29-42-41-17-7-11-21-47(41)57-48(42)31-36/h1-31H
InChIKeyFNIFMCCUHAELKX-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-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742568
9-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572632
9-[4-carbazol-9-yl-6-(2-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742494
9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
CID 174170365
2-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 118154600
9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-2-phenylcarbazole
CID 154624436
9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 163467977
2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 126632181
11-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 134168992
6-dibenzothiophen-3-yl-9-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705058
9-[4-carbazol-9-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742506
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 67472142

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole (CID 168742562) is 9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6ccc7c(c6)sc6ccccc67)cc5)nc(-n5c6ccccc6c6ccccc65)n4)c3c2)cc1.
What is the InChIKey of 9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole?
The InChIKey is FNIFMCCUHAELKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5S/c1-2-12-32(13-3-1)35-26-28-40-39-16-6-10-20-45(39)56(46(40)30-35)51-53-49(52-50(54-51)55-43-18-8-4-14-37(43)38-15-5-9-19-44(38)55)34-24-22-33(23-25-34)36-27-29-42-41-17-7-11-21-47(41)57-48(42)31-36/h1-31H.
What are the key properties of 9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole?
9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-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-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole is sourced from PubChem (CID 168742562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).