5-[2-dibenzothiophen-2-yl-4-[4,6-di(phenanthren-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

C65H38N4S — CID 155474637

IUPAC5-[2-dibenzothiophen-2-yl-4-[4,6-di(phenanthren-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3cccc4c3ccc3ccccc34)nc(-c3cccc4c3ccc3ccccc34)n2)cc1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C65H38N4S/c1-2-16-42-38-60-56(35-41(42)15-1)51-19-7-9-25-58(51)69(60)59-33-29-44(37-55(59)43-30-34-62-57(36-43)52-20-8-10-26-61(52)70-62)63-66-64(53-23-11-21-47-45-17-5-3-13-39(45)27-31-49(47)53)68-65(67-63)54-24-12-22-48-46-18-6-4-14-40(46)28-32-50(48)54/h1-38H
InChIKeyMEKHWWURAXSRRZ-UHFFFAOYSA-N
MW907.11 g/mol
LogP17.77
Rot. Bonds5

About 5-[2-dibenzothiophen-2-yl-4-[4,6-di(phenanthren-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

5-[2-dibenzothiophen-2-yl-4-[4,6-di(phenanthren-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 155474637) has the molecular formula C65H38N4S and a molecular weight of 907.11 g/mol. Its IUPAC name is 5-[2-dibenzothiophen-2-yl-4-[4,6-di(phenanthren-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-dibenzothiophen-2-yl-4-[4,6-di(phenanthren-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
PubChem CID155474637
Molecular FormulaC65H38N4S
Molecular Weight907.11 g/mol
Exact Mass906.28
IUPAC Name5-[2-dibenzothiophen-2-yl-4-[4,6-di(phenanthren-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3cccc4c3ccc3ccccc34)nc(-c3cccc4c3ccc3ccccc34)n2)cc1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C65H38N4S/c1-2-16-42-38-60-56(35-41(42)15-1)51-19-7-9-25-58(51)69(60)59-33-29-44(37-55(59)43-30-34-62-57(36-43)52-20-8-10-26-61(52)70-62)63-66-64(53-23-11-21-47-45-17-5-3-13-39(45)27-31-49(47)53)68-65(67-63)54-24-12-22-48-46-18-6-4-14-40(46)28-32-50(48)54/h1-38H
InChIKeyMEKHWWURAXSRRZ-UHFFFAOYSA-N
XLogP17.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.11
LogP ≤ 517.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-[2-dibenzothiophen-3-yl-4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155475053
12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]-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 155474747
5-[2-dibenzothiophen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155475233
5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole
CID 163796934
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
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzothiol-11-ylphenyl]benzo[b]carbazole
CID 155474916
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-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[1,2-b][1]benzothiol-7-ylphenyl]benzo[b]carbazole
CID 155474842
5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[2,3-b][1]benzothiol-1-ylphenyl]benzo[b]carbazole
CID 155474598
5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621284
5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzothiol-11-ylphenyl]benzo[b]carbazole
CID 155474859
5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole
CID 155034505

Frequently Asked Questions

What is the IUPAC name of 5-[2-dibenzothiophen-2-yl-4-[4,6-di(phenanthren-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The IUPAC name of 5-[2-dibenzothiophen-2-yl-4-[4,6-di(phenanthren-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (CID 155474637) is 5-[2-dibenzothiophen-2-yl-4-[4,6-di(phenanthren-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-dibenzothiophen-2-yl-4-[4,6-di(phenanthren-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The canonical SMILES for 5-[2-dibenzothiophen-2-yl-4-[4,6-di(phenanthren-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3cccc4c3ccc3ccccc34)nc(-c3cccc4c3ccc3ccccc34)n2)cc1-c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 5-[2-dibenzothiophen-2-yl-4-[4,6-di(phenanthren-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The InChIKey is MEKHWWURAXSRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H38N4S/c1-2-16-42-38-60-56(35-41(42)15-1)51-19-7-9-25-58(51)69(60)59-33-29-44(37-55(59)43-30-34-62-57(36-43)52-20-8-10-26-61(52)70-62)63-66-64(53-23-11-21-47-45-17-5-3-13-39(45)27-31-49(47)53)68-65(67-63)54-24-12-22-48-46-18-6-4-14-40(46)28-32-50(48)54/h1-38H.
What are the key properties of 5-[2-dibenzothiophen-2-yl-4-[4,6-di(phenanthren-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
5-[2-dibenzothiophen-2-yl-4-[4,6-di(phenanthren-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole has a molecular weight of 907.11 g/mol, XLogP of 17.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-dibenzothiophen-2-yl-4-[4,6-di(phenanthren-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 155474637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).