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

C51H31N5S — CID 163690161

IUPAC9-[4-(9-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)nc(-n3c4ccccc4c4c(-c5ccccc5)cccc43)n2)cc1
InChIInChI=1S/C51H31N5S/c1-3-16-32(17-4-1)34-23-14-29-43-46(34)37-22-9-12-28-42(37)56(43)51-53-49(33-18-5-2-6-19-33)52-50(54-51)39-25-13-24-38-47-44(30-15-31-45(47)57-48(38)39)55-40-26-10-7-20-35(40)36-21-8-11-27-41(36)55/h1-31H
InChIKeyJSHPEURIXSHNRA-UHFFFAOYSA-N
MW745.91 g/mol
LogP13.43
Rot. Bonds5

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

9-[4-(9-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole (PubChem CID 163690161) has the molecular formula C51H31N5S and a molecular weight of 745.91 g/mol. Its IUPAC name is 9-[4-(9-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole.

Molecular Properties

Compound Name9-[4-(9-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
PubChem CID163690161
Molecular FormulaC51H31N5S
Molecular Weight745.91 g/mol
Exact Mass745.23
IUPAC Name9-[4-(9-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)nc(-n3c4ccccc4c4c(-c5ccccc5)cccc43)n2)cc1
InChIInChI=1S/C51H31N5S/c1-3-16-32(17-4-1)34-23-14-29-43-46(34)37-22-9-12-28-42(37)56(43)51-53-49(33-18-5-2-6-19-33)52-50(54-51)39-25-13-24-38-47-44(30-15-31-45(47)57-48(38)39)55-40-26-10-7-20-35(40)36-21-8-11-27-41(36)55/h1-31H
InChIKeyJSHPEURIXSHNRA-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-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 170669730
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15(20),16,18-nonaen-5-yl]carbazole
CID 146664284
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-(6-phenyldibenzothiophen-1-yl)carbazole
CID 164983690
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 169011010
1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
CID 176874220
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-1-yl]carbazole
CID 169010600
9-phenyl-1-[1-[4-phenyl-6-(9-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
CID 168807829
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole
CID 169011119
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]carbazole
CID 166952899
9-[4-(9-dibenzofuran-1-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155357980
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-1-yl]carbazole
CID 169010953
9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 147194061

Frequently Asked Questions

What is the IUPAC name of 9-[4-(9-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole?
The IUPAC name of 9-[4-(9-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole (CID 163690161) is 9-[4-(9-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole.
What is the SMILES notation for 9-[4-(9-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole?
The canonical SMILES for 9-[4-(9-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole is c1ccc(-c2nc(-c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)nc(-n3c4ccccc4c4c(-c5ccccc5)cccc43)n2)cc1.
What is the InChIKey of 9-[4-(9-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole?
The InChIKey is JSHPEURIXSHNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5S/c1-3-16-32(17-4-1)34-23-14-29-43-46(34)37-22-9-12-28-42(37)56(43)51-53-49(33-18-5-2-6-19-33)52-50(54-51)39-25-13-24-38-47-44(30-15-31-45(47)57-48(38)39)55-40-26-10-7-20-35(40)36-21-8-11-27-41(36)55/h1-31H.
What are the key properties of 9-[4-(9-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole?
9-[4-(9-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-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-(9-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole is sourced from PubChem (CID 163690161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).