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

C59H32N4O2S — CID 155042232

IUPAC5-[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
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1c(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)ccc2oc3c4ccccc4ccc3c12
InChIInChI=1S/C59H32N4O2S/c1-2-13-35-32-48-44(29-34(35)12-1)39-15-5-8-18-47(39)63(48)55-43(25-27-51-54(55)42-24-21-33-11-3-4-14-38(33)56(42)65-51)59-61-57(36-22-26-50-45(30-36)40-16-6-9-19-49(40)64-50)60-58(62-59)37-23-28-53-46(31-37)41-17-7-10-20-52(41)66-53/h1-32H
InChIKeyOTONPCRIELKYHB-UHFFFAOYSA-N
MW861.00 g/mol
LogP16.44
Rot. Bonds4

About 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

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 (PubChem CID 155042232) has the molecular formula C59H32N4O2S and a molecular weight of 861.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID155042232
Molecular FormulaC59H32N4O2S
Molecular Weight861.00 g/mol
Exact Mass860.22
IUPAC Name5-[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
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1c(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)ccc2oc3c4ccccc4ccc3c12
InChIInChI=1S/C59H32N4O2S/c1-2-13-35-32-48-44(29-34(35)12-1)39-15-5-8-18-47(39)63(48)55-43(25-27-51-54(55)42-24-21-33-11-3-4-14-38(33)56(42)65-51)59-61-57(36-22-26-50-45(30-36)40-16-6-9-19-49(40)64-50)60-58(62-59)37-23-28-53-46(31-37)41-17-7-10-20-52(41)66-53/h1-32H
InChIKeyOTONPCRIELKYHB-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-[3-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166700137
5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 167347354
5-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166700141
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-[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-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
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-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166698963
12-[1-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-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;5-[7-[4-dibenzothiophen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[7-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 165050037
5-[2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 166915274
5-[4-(4-dibenzothiophen-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 166700106
5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 167347585

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1c(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)ccc2oc3c4ccccc4ccc3c12.
What is the InChIKey of 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?
The InChIKey is OTONPCRIELKYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H32N4O2S/c1-2-13-35-32-48-44(29-34(35)12-1)39-15-5-8-18-47(39)63(48)55-43(25-27-51-54(55)42-24-21-33-11-3-4-14-38(33)56(42)65-51)59-61-57(36-22-26-50-45(30-36)40-16-6-9-19-49(40)64-50)60-58(62-59)37-23-28-53-46(31-37)41-17-7-10-20-52(41)66-53/h1-32H.
What are the key properties of 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?
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 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-[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 is sourced from PubChem (CID 155042232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).