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

C55H31N5OS — CID 166699163

IUPAC5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc2c(cc1-c1nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n1)oc1ccccc12
InChIInChI=1S/C55H31N5OS/c1-2-15-33-29-47-41(28-32(33)14-1)36-18-5-8-23-44(36)59(47)48-30-42-37-19-6-11-26-49(37)61-50(42)31-43(48)54-56-53(40-22-13-21-39-38-20-7-12-27-51(38)62-52(39)40)57-55(58-54)60-45-24-9-3-16-34(45)35-17-4-10-25-46(35)60/h1-31H
InChIKeyHKIWGPNHBIQIOD-UHFFFAOYSA-N
MW809.95 g/mol
LogP14.82
Rot. Bonds4

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

5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 166699163) has the molecular formula C55H31N5OS and a molecular weight of 809.95 g/mol. Its IUPAC name is 5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
PubChem CID166699163
Molecular FormulaC55H31N5OS
Molecular Weight809.95 g/mol
Exact Mass809.22
IUPAC Name5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc2c(cc1-c1nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n1)oc1ccccc12
InChIInChI=1S/C55H31N5OS/c1-2-15-33-29-47-41(28-32(33)14-1)36-18-5-8-23-44(36)59(47)48-30-42-37-19-6-11-26-49(37)61-50(42)31-43(48)54-56-53(40-22-13-21-39-38-20-7-12-27-51(38)62-52(39)40)57-55(58-54)60-45-24-9-3-16-34(45)35-17-4-10-25-46(35)60/h1-31H
InChIKeyHKIWGPNHBIQIOD-UHFFFAOYSA-N
XLogP14.82
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.95
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

12-[2-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 167347891
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-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 167347710
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-[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-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 167348034
5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155043006
12-[3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-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 163792015
5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 166700326
5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621086
9-[2-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-1-ylcarbazole
CID 170534455

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (CID 166699163) is 5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc2c(cc1-c1nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n1)oc1ccccc12.
What is the InChIKey of 5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The InChIKey is HKIWGPNHBIQIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H31N5OS/c1-2-15-33-29-47-41(28-32(33)14-1)36-18-5-8-23-44(36)59(47)48-30-42-37-19-6-11-26-49(37)61-50(42)31-43(48)54-56-53(40-22-13-21-39-38-20-7-12-27-51(38)62-52(39)40)57-55(58-54)60-45-24-9-3-16-34(45)35-17-4-10-25-46(35)60/h1-31H.
What are the key properties of 5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole has a molecular weight of 809.95 g/mol, XLogP of 14.82, 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-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 166699163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).