9-[5-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole

C59H36N4S — CID 172500468

IUPAC9-[5-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)nc(-c4cc5ccccc5c5ccccc45)n3)cc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C59H36N4S/c1-2-15-37(16-3-1)44-31-30-42(35-54(44)63-52-26-11-8-23-47(52)48-24-9-12-27-53(48)63)58-60-57(61-59(62-58)51-34-40-17-4-5-20-43(40)45-21-6-7-22-46(45)51)41-19-14-18-38(33-41)39-29-32-50-49-25-10-13-28-55(49)64-56(50)36-39/h1-36H
InChIKeyIRCPVKQYMUHRLO-UHFFFAOYSA-N
MW833.03 g/mol
LogP15.98
Rot. Bonds6

About 9-[5-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole

9-[5-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole (PubChem CID 172500468) has the molecular formula C59H36N4S and a molecular weight of 833.03 g/mol. Its IUPAC name is 9-[5-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole.

Molecular Properties

Compound Name9-[5-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
PubChem CID172500468
Molecular FormulaC59H36N4S
Molecular Weight833.03 g/mol
Exact Mass832.27
IUPAC Name9-[5-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)nc(-c4cc5ccccc5c5ccccc45)n3)cc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C59H36N4S/c1-2-15-37(16-3-1)44-31-30-42(35-54(44)63-52-26-11-8-23-47(52)48-24-9-12-27-53(48)63)58-60-57(61-59(62-58)51-34-40-17-4-5-20-43(40)45-21-6-7-22-46(45)51)41-19-14-18-38(33-41)39-29-32-50-49-25-10-13-28-55(49)64-56(50)36-39/h1-36H
InChIKeyIRCPVKQYMUHRLO-UHFFFAOYSA-N
XLogP15.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.03
LogP ≤ 515.98
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

9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500190
9-[5-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-naphthalen-1-ylphenyl]carbazole
CID 172500215
9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500292
5-[5-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[b]carbazole
CID 172500432
9-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500030
9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]carbazole
CID 172500329
9-[2-[4-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500355
12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165480
9-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572632
9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500254
11-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[a]carbazole
CID 172500474
9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
CID 177287155

Frequently Asked Questions

What is the IUPAC name of 9-[5-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole?
The IUPAC name of 9-[5-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole (CID 172500468) is 9-[5-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole.
What is the SMILES notation for 9-[5-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole?
The canonical SMILES for 9-[5-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)nc(-c4cc5ccccc5c5ccccc45)n3)cc2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[5-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole?
The InChIKey is IRCPVKQYMUHRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4S/c1-2-15-37(16-3-1)44-31-30-42(35-54(44)63-52-26-11-8-23-47(52)48-24-9-12-27-53(48)63)58-60-57(61-59(62-58)51-34-40-17-4-5-20-43(40)45-21-6-7-22-46(45)51)41-19-14-18-38(33-41)39-29-32-50-49-25-10-13-28-55(49)64-56(50)36-39/h1-36H.
What are the key properties of 9-[5-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole?
9-[5-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole has a molecular weight of 833.03 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole is sourced from PubChem (CID 172500468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).