5-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-4-ylphenyl]benzo[b]carbazole

C65H38N4O — CID 155430458

IUPAC5-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-4-ylphenyl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3c4ccccc4cc4ccccc34)nc(-c3c4ccccc4cc4ccccc34)n2)c(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C65H38N4O/c1-2-17-40-37-58-56(36-39(40)16-1)50-26-11-13-30-57(50)69(58)45-32-33-54(55(38-45)53-29-15-28-52-51-27-12-14-31-59(51)70-62(52)53)63-66-64(60-46-22-7-3-18-41(46)34-42-19-4-8-23-47(42)60)68-65(67-63)61-48-24-9-5-20-43(48)35-44-21-6-10-25-49(44)61/h1-38H
InChIKeyBZCXODOBWKTOBF-UHFFFAOYSA-N
MW891.05 g/mol
LogP17.30
Rot. Bonds5

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

5-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-4-ylphenyl]benzo[b]carbazole (PubChem CID 155430458) has the molecular formula C65H38N4O and a molecular weight of 891.05 g/mol. Its IUPAC name is 5-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-4-ylphenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-4-ylphenyl]benzo[b]carbazole
PubChem CID155430458
Molecular FormulaC65H38N4O
Molecular Weight891.05 g/mol
Exact Mass890.30
IUPAC Name5-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-4-ylphenyl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3c4ccccc4cc4ccccc34)nc(-c3c4ccccc4cc4ccccc34)n2)c(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C65H38N4O/c1-2-17-40-37-58-56(36-39(40)16-1)50-26-11-13-30-57(50)69(58)45-32-33-54(55(38-45)53-29-15-28-52-51-27-12-14-31-59(51)70-62(52)53)63-66-64(60-46-22-7-3-18-41(46)34-42-19-4-8-23-47(42)60)68-65(67-63)61-48-24-9-5-20-43(48)35-44-21-6-10-25-49(44)61/h1-38H
InChIKeyBZCXODOBWKTOBF-UHFFFAOYSA-N
XLogP17.30
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.05
LogP ≤ 517.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-[3-dibenzofuran-4-yl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430338
5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430956
5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155430334
5-[3-dibenzofuran-4-yl-4-(4-naphthalen-2-yl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155430456
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167043577
5-[3-dibenzofuran-4-yl-4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155430958
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999
5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430580
5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole
CID 166916866
5-[3-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155431004
5-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole
CID 155430720
12-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-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 166916170

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-4-ylphenyl]benzo[b]carbazole?
The IUPAC name of 5-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-4-ylphenyl]benzo[b]carbazole (CID 155430458) is 5-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-4-ylphenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-4-ylphenyl]benzo[b]carbazole?
The canonical SMILES for 5-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-4-ylphenyl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3c4ccccc4cc4ccccc34)nc(-c3c4ccccc4cc4ccccc34)n2)c(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 5-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-4-ylphenyl]benzo[b]carbazole?
The InChIKey is BZCXODOBWKTOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H38N4O/c1-2-17-40-37-58-56(36-39(40)16-1)50-26-11-13-30-57(50)69(58)45-32-33-54(55(38-45)53-29-15-28-52-51-27-12-14-31-59(51)70-62(52)53)63-66-64(60-46-22-7-3-18-41(46)34-42-19-4-8-23-47(42)60)68-65(67-63)61-48-24-9-5-20-43(48)35-44-21-6-10-25-49(44)61/h1-38H.
What are the key properties of 5-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-4-ylphenyl]benzo[b]carbazole?
5-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-4-ylphenyl]benzo[b]carbazole has a molecular weight of 891.05 g/mol, XLogP of 17.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-4-ylphenyl]benzo[b]carbazole is sourced from PubChem (CID 155430458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).