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

C59H33N5OS — CID 167347592

IUPAC5-[2-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)oc1ccc(-c2nc(-c4ccc5c(c4)sc4ccccc45)nc(-n4c5ccccc5c5ccccc54)n2)c(-n2c4ccccc4c4cc5ccccc5cc42)c13
InChIInChI=1S/C59H33N5OS/c1-3-15-36-31-50-45(29-34(36)13-1)41-19-7-9-21-47(41)63(50)56-44(27-28-51-55(56)46-30-35-14-2-4-16-37(35)32-52(46)65-51)58-60-57(38-25-26-43-42-20-8-12-24-53(42)66-54(43)33-38)61-59(62-58)64-48-22-10-5-17-39(48)40-18-6-11-23-49(40)64/h1-33H
InChIKeyIJINYTFYQYFGOO-UHFFFAOYSA-N
MW860.01 g/mol
LogP15.97
Rot. Bonds4

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

5-[2-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole (PubChem CID 167347592) has the molecular formula C59H33N5OS and a molecular weight of 860.01 g/mol. Its IUPAC name is 5-[2-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
PubChem CID167347592
Molecular FormulaC59H33N5OS
Molecular Weight860.01 g/mol
Exact Mass859.24
IUPAC Name5-[2-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)oc1ccc(-c2nc(-c4ccc5c(c4)sc4ccccc45)nc(-n4c5ccccc5c5ccccc54)n2)c(-n2c4ccccc4c4cc5ccccc5cc42)c13
InChIInChI=1S/C59H33N5OS/c1-3-15-36-31-50-45(29-34(36)13-1)41-19-7-9-21-47(41)63(50)56-44(27-28-51-55(56)46-30-35-14-2-4-16-37(35)32-52(46)65-51)58-60-57(38-25-26-43-42-20-8-12-24-53(42)66-54(43)33-38)61-59(62-58)64-48-22-10-5-17-39(48)40-18-6-11-23-49(40)64/h1-33H
InChIKeyIJINYTFYQYFGOO-UHFFFAOYSA-N
XLogP15.97
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.01
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 167347354
12-[2-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-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 166699766
5-[8-(4-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 155042232
5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 166700326
12-[3-[4-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-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 167347908
5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[b]carbazole
CID 163771493
5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 167347909
5-[3-[4-(6H-benzo[c]chromen-8-yl)-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 166699339
5-[6-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[3,2-b][1]benzofuran-11-yl]benzo[b]carbazole
CID 166699122
9-[9-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-3-phenylcarbazole
CID 174365433
5-[10-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163983366
5-[3-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166700137

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[2-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole (CID 167347592) is 5-[2-(4-carbazol-9-yl-6-dibenzothiophen-3-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-[2-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[2-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)oc1ccc(-c2nc(-c4ccc5c(c4)sc4ccccc45)nc(-n4c5ccccc5c5ccccc54)n2)c(-n2c4ccccc4c4cc5ccccc5cc42)c13.
What is the InChIKey of 5-[2-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole?
The InChIKey is IJINYTFYQYFGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H33N5OS/c1-3-15-36-31-50-45(29-34(36)13-1)41-19-7-9-21-47(41)63(50)56-44(27-28-51-55(56)46-30-35-14-2-4-16-37(35)32-52(46)65-51)58-60-57(38-25-26-43-42-20-8-12-24-53(42)66-54(43)33-38)61-59(62-58)64-48-22-10-5-17-39(48)40-18-6-11-23-49(40)64/h1-33H.
What are the key properties of 5-[2-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole?
5-[2-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole has a molecular weight of 860.01 g/mol, XLogP of 15.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 167347592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).