5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole

C55H31N5OS — CID 167347710

IUPAC5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc2oc3ccccc3c12
InChIInChI=1S/C55H31N5OS/c1-2-15-33-29-46-42(28-32(33)14-1)37-18-5-8-23-43(37)59(46)47-30-34(31-49-51(47)40-20-6-11-26-48(40)61-49)53-56-54(41-22-13-21-39-38-19-7-12-27-50(38)62-52(39)41)58-55(57-53)60-44-24-9-3-16-35(44)36-17-4-10-25-45(36)60/h1-31H
InChIKeyXLBWAMWZZDEXNX-UHFFFAOYSA-N
MW809.95 g/mol
LogP14.82
Rot. Bonds4

About 5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole

5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole (PubChem CID 167347710) has the molecular formula C55H31N5OS and a molecular weight of 809.95 g/mol. Its IUPAC name is 5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
PubChem CID167347710
Molecular FormulaC55H31N5OS
Molecular Weight809.95 g/mol
Exact Mass809.22
IUPAC Name5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc2oc3ccccc3c12
InChIInChI=1S/C55H31N5OS/c1-2-15-33-29-46-42(28-32(33)14-1)37-18-5-8-23-43(37)59(46)47-30-34(31-49-51(47)40-20-6-11-26-48(40)61-49)53-56-54(41-22-13-21-39-38-19-7-12-27-50(38)62-52(39)41)58-55(57-53)60-44-24-9-3-16-35(44)36-17-4-10-25-45(36)60/h1-31H
InChIKeyXLBWAMWZZDEXNX-UHFFFAOYSA-N
XLogP14.82
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.95
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 167348034
5-[3-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 167347413
5-[9-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166700217
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699141
5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699163
5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699331
5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155043006
5-[2-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 155043007
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166916090
2-(1-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 164847833
5-[6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 163765583
5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 167347909

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole (CID 167347710) is 5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc2oc3ccccc3c12.
What is the InChIKey of 5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole?
The InChIKey is XLBWAMWZZDEXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H31N5OS/c1-2-15-33-29-46-42(28-32(33)14-1)37-18-5-8-23-43(37)59(46)47-30-34(31-49-51(47)40-20-6-11-26-48(40)61-49)53-56-54(41-22-13-21-39-38-19-7-12-27-50(38)62-52(39)41)58-55(57-53)60-44-24-9-3-16-35(44)36-17-4-10-25-45(36)60/h1-31H.
What are the key properties of 5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole?
5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole has a molecular weight of 809.95 g/mol, XLogP of 14.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 167347710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).