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

C55H33N5OS — CID 166699207

IUPAC5-[4-(4-carbazol-9-yl-2-dibenzothiophen-4-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(C2=NC(n3c4ccccc4c4ccccc43)=NC(c3cccc4c3sc3ccccc34)N2)c2oc3ccccc3c2c1
InChIInChI=1S/C55H33N5OS/c1-2-15-33-29-48-42(28-32(33)14-1)37-18-5-8-23-45(37)59(48)34-30-43-38-19-6-11-26-49(38)61-51(43)44(31-34)54-56-53(41-22-13-21-40-39-20-7-12-27-50(39)62-52(40)41)57-55(58-54)60-46-24-9-3-16-35(46)36-17-4-10-25-47(36)60/h1-31,53H,(H,56,57,58)
InChIKeyCSYQVVFNSNMMJG-UHFFFAOYSA-N
MW811.97 g/mol
LogP14.27
Rot. Bonds3

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

5-[4-(4-carbazol-9-yl-2-dibenzothiophen-4-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 166699207) has the molecular formula C55H33N5OS and a molecular weight of 811.97 g/mol. Its IUPAC name is 5-[4-(4-carbazol-9-yl-2-dibenzothiophen-4-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(4-carbazol-9-yl-2-dibenzothiophen-4-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole
PubChem CID166699207
Molecular FormulaC55H33N5OS
Molecular Weight811.97 g/mol
Exact Mass811.24
IUPAC Name5-[4-(4-carbazol-9-yl-2-dibenzothiophen-4-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(C2=NC(n3c4ccccc4c4ccccc43)=NC(c3cccc4c3sc3ccccc34)N2)c2oc3ccccc3c2c1
InChIInChI=1S/C55H33N5OS/c1-2-15-33-29-48-42(28-32(33)14-1)37-18-5-8-23-45(37)59(48)34-30-43-38-19-6-11-26-49(38)61-51(43)44(31-34)54-56-53(41-22-13-21-40-39-20-7-12-27-50(39)62-52(40)41)57-55(58-54)60-46-24-9-3-16-35(46)36-17-4-10-25-47(36)60/h1-31,53H,(H,56,57,58)
InChIKeyCSYQVVFNSNMMJG-UHFFFAOYSA-N
XLogP14.27
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.97
LogP ≤ 514.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166700827
5-[4-[4-dibenzothiophen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166699937
5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699662
12-[1-(2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 166700298
5-[4-[4-naphthalen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166699268
5-[4-(4-dibenzothiophen-2-yl-5-ethyl-6-naphthalen-1-yl-1,4,5,6-tetrahydropyrimidin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699851
5-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347924
5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166698963
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 137227552
5-[3-(4-carbazol-9-yl-2-dibenzothiophen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 166699790
5-[4-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167043585
5-[2-[2,6-di(dibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole
CID 166699519

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-carbazol-9-yl-2-dibenzothiophen-4-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(4-carbazol-9-yl-2-dibenzothiophen-4-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole (CID 166699207) is 5-[4-(4-carbazol-9-yl-2-dibenzothiophen-4-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(4-carbazol-9-yl-2-dibenzothiophen-4-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(4-carbazol-9-yl-2-dibenzothiophen-4-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(C2=NC(n3c4ccccc4c4ccccc43)=NC(c3cccc4c3sc3ccccc34)N2)c2oc3ccccc3c2c1.
What is the InChIKey of 5-[4-(4-carbazol-9-yl-2-dibenzothiophen-4-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The InChIKey is CSYQVVFNSNMMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N5OS/c1-2-15-33-29-48-42(28-32(33)14-1)37-18-5-8-23-45(37)59(48)34-30-43-38-19-6-11-26-49(38)61-51(43)44(31-34)54-56-53(41-22-13-21-40-39-20-7-12-27-50(39)62-52(40)41)57-55(58-54)60-46-24-9-3-16-35(46)36-17-4-10-25-47(36)60/h1-31,53H,(H,56,57,58).
What are the key properties of 5-[4-(4-carbazol-9-yl-2-dibenzothiophen-4-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole?
5-[4-(4-carbazol-9-yl-2-dibenzothiophen-4-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole has a molecular weight of 811.97 g/mol, XLogP of 14.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-carbazol-9-yl-2-dibenzothiophen-4-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 166699207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).