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

C59H32N4O2S — CID 167347963

IUPAC5-[4-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)oc1c(-c2nc(-c4cccc5oc6ccccc6c45)nc(-c4cccc5sc6ccccc6c45)n2)ccc(-n2c4ccccc4c4cc5ccccc5cc42)c13
InChIInChI=1S/C59H32N4O2S/c1-3-15-35-31-47-43(29-33(35)13-1)37-17-5-8-22-45(37)63(47)46-28-27-42(56-55(46)44-30-34-14-2-4-16-36(34)32-50(44)65-56)59-61-57(40-20-11-24-49-53(40)38-18-6-9-23-48(38)64-49)60-58(62-59)41-21-12-26-52-54(41)39-19-7-10-25-51(39)66-52/h1-32H
InChIKeyOMUDVAFUMGUKCW-UHFFFAOYSA-N
MW861.00 g/mol
LogP16.44
Rot. Bonds4

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

5-[4-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole (PubChem CID 167347963) has the molecular formula C59H32N4O2S and a molecular weight of 861.00 g/mol. Its IUPAC name is 5-[4-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
PubChem CID167347963
Molecular FormulaC59H32N4O2S
Molecular Weight861.00 g/mol
Exact Mass860.22
IUPAC Name5-[4-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)oc1c(-c2nc(-c4cccc5oc6ccccc6c45)nc(-c4cccc5sc6ccccc6c45)n2)ccc(-n2c4ccccc4c4cc5ccccc5cc42)c13
InChIInChI=1S/C59H32N4O2S/c1-3-15-35-31-47-43(29-33(35)13-1)37-17-5-8-22-45(37)63(47)46-28-27-42(56-55(46)44-30-34-14-2-4-16-36(34)32-50(44)65-56)59-61-57(40-20-11-24-49-53(40)38-18-6-9-23-48(38)64-49)60-58(62-59)41-21-12-26-52-54(41)39-19-7-10-25-51(39)66-52/h1-32H
InChIKeyOMUDVAFUMGUKCW-UHFFFAOYSA-N
XLogP16.44
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.00
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699659
5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714660
12-[4-(4-dibenzothiophen-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-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 155040198
5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 164714845
5-[3-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 166700651
5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714559
5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699331
12-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-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 166700694
5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 163593137
5-[3-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167347934
5-[10-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 167347761
5-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole
CID 155475277

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole (CID 167347963) is 5-[4-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)oc1c(-c2nc(-c4cccc5oc6ccccc6c45)nc(-c4cccc5sc6ccccc6c45)n2)ccc(-n2c4ccccc4c4cc5ccccc5cc42)c13.
What is the InChIKey of 5-[4-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole?
The InChIKey is OMUDVAFUMGUKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H32N4O2S/c1-3-15-35-31-47-43(29-33(35)13-1)37-17-5-8-22-45(37)63(47)46-28-27-42(56-55(46)44-30-34-14-2-4-16-36(34)32-50(44)65-56)59-61-57(40-20-11-24-49-53(40)38-18-6-9-23-48(38)64-49)60-58(62-59)41-21-12-26-52-54(41)39-19-7-10-25-51(39)66-52/h1-32H.
What are the key properties of 5-[4-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole?
5-[4-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole has a molecular weight of 861.00 g/mol, XLogP of 16.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 167347963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).