5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine

C69H45N3Se — CID 175828137

IUPAC5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine
SMILESc1ccc(-c2ccccc2-c2ccc(-c3ccccc3)c(-c3c(-c4ccccc4-c4ccccc4)ccc4[se]c5ccccc5c34)c2-c2nnnc(-c3ccccc3-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C69H45N3Se/c1-6-24-46(25-7-1)51-34-16-19-37-55(51)57-44-45-62-64(60-40-22-23-41-61(60)73-62)66(57)65-54(49-30-12-4-13-31-49)42-43-58(56-38-20-17-35-52(56)47-26-8-2-9-27-47)67(65)69-63(50-32-14-5-15-33-50)68(70-72-71-69)59-39-21-18-36-53(59)48-28-10-3-11-29-48/h1-45H
InChIKeyCTQMRAOWIBOSFQ-UHFFFAOYSA-N
MW995.10 g/mol
LogP17.91
Rot. Bonds10

About 5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine

5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine (PubChem CID 175828137) has the molecular formula C69H45N3Se and a molecular weight of 995.10 g/mol. Its IUPAC name is 5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine.

Molecular Properties

Compound Name5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine
PubChem CID175828137
Molecular FormulaC69H45N3Se
Molecular Weight995.10 g/mol
Exact Mass995.28
IUPAC Name5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine
SMILESc1ccc(-c2ccccc2-c2ccc(-c3ccccc3)c(-c3c(-c4ccccc4-c4ccccc4)ccc4[se]c5ccccc5c34)c2-c2nnnc(-c3ccccc3-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C69H45N3Se/c1-6-24-46(25-7-1)51-34-16-19-37-55(51)57-44-45-62-64(60-40-22-23-41-61(60)73-62)66(57)65-54(49-30-12-4-13-31-49)42-43-58(56-38-20-17-35-52(56)47-26-8-2-9-27-47)67(65)69-63(50-32-14-5-15-33-50)68(70-72-71-69)59-39-21-18-36-53(59)48-28-10-3-11-29-48/h1-45H
InChIKeyCTQMRAOWIBOSFQ-UHFFFAOYSA-N
XLogP17.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.10
LogP ≤ 517.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine
CID 166133463
4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)triazine
CID 166135058
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine
CID 175594593
4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine
CID 166134177
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine
CID 166134544
4,5-diphenyl-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166133527
4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine
CID 166135108
4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine
CID 166133514
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166134291
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 172700237
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine
CID 171060190
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134551

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine?
The IUPAC name of 5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine (CID 175828137) is 5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine.
What is the SMILES notation for 5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine?
The canonical SMILES for 5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine is c1ccc(-c2ccccc2-c2ccc(-c3ccccc3)c(-c3c(-c4ccccc4-c4ccccc4)ccc4[se]c5ccccc5c34)c2-c2nnnc(-c3ccccc3-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine?
The InChIKey is CTQMRAOWIBOSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N3Se/c1-6-24-46(25-7-1)51-34-16-19-37-55(51)57-44-45-62-64(60-40-22-23-41-61(60)73-62)66(57)65-54(49-30-12-4-13-31-49)42-43-58(56-38-20-17-35-52(56)47-26-8-2-9-27-47)67(65)69-63(50-32-14-5-15-33-50)68(70-72-71-69)59-39-21-18-36-53(59)48-28-10-3-11-29-48/h1-45H.
What are the key properties of 5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine?
5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine has a molecular weight of 995.10 g/mol, XLogP of 17.91, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine is sourced from PubChem (CID 175828137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).