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

C59H33N5OS — CID 166700651

IUPAC5-[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
SMILESc1ccc2cc3c(cc2c1)oc1cc(-c2nc(-c4cccc5sc6ccccc6c45)nc(-n4c5ccccc5c5ccccc54)n2)c(-n2c4ccccc4c4cc5ccccc5cc42)cc13
InChIInChI=1S/C59H33N5OS/c1-3-16-36-30-50-43(28-34(36)14-1)40-20-7-9-23-47(40)63(50)51-32-45-44-29-35-15-2-4-17-37(35)31-52(44)65-53(45)33-46(51)58-60-57(42-22-13-27-55-56(42)41-21-8-12-26-54(41)66-55)61-59(62-58)64-48-24-10-5-18-38(48)39-19-6-11-25-49(39)64/h1-33H
InChIKeyJAESHPWPRWDEBT-UHFFFAOYSA-N
MW860.01 g/mol
LogP15.97
Rot. Bonds4

About 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

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 (PubChem CID 166700651) has the molecular formula C59H33N5OS and a molecular weight of 860.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID166700651
Molecular FormulaC59H33N5OS
Molecular Weight860.01 g/mol
Exact Mass859.24
IUPAC Name5-[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
SMILESc1ccc2cc3c(cc2c1)oc1cc(-c2nc(-c4cccc5sc6ccccc6c45)nc(-n4c5ccccc5c5ccccc54)n2)c(-n2c4ccccc4c4cc5ccccc5cc42)cc13
InChIInChI=1S/C59H33N5OS/c1-3-16-36-30-50-43(28-34(36)14-1)40-20-7-9-23-47(40)63(50)51-32-45-44-29-35-15-2-4-17-37(35)31-52(44)65-53(45)33-46(51)58-60-57(42-22-13-27-55-56(42)41-21-8-12-26-54(41)66-55)61-59(62-58)64-48-24-10-5-18-38(48)39-19-6-11-25-49(39)64/h1-33H
InChIKeyJAESHPWPRWDEBT-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

Analyze 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 with MolForge

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Related Compounds

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-[3-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167347934
5-[3-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167347352
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-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166916961
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-[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
5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714660
5-[11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163473582
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621257
5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714559
5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 163593137

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2cc3c(cc2c1)oc1cc(-c2nc(-c4cccc5sc6ccccc6c45)nc(-n4c5ccccc5c5ccccc54)n2)c(-n2c4ccccc4c4cc5ccccc5cc42)cc13.
What is the InChIKey of 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?
The InChIKey is JAESHPWPRWDEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H33N5OS/c1-3-16-36-30-50-43(28-34(36)14-1)40-20-7-9-23-47(40)63(50)51-32-45-44-29-35-15-2-4-17-37(35)31-52(44)65-53(45)33-46(51)58-60-57(42-22-13-27-55-56(42)41-21-8-12-26-54(41)66-55)61-59(62-58)64-48-24-10-5-18-38(48)39-19-6-11-25-49(39)64/h1-33H.
What are the key properties of 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?
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 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-[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 is sourced from PubChem (CID 166700651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).