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

C45H29N3S — CID 166134291

IUPAC4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
SMILESc1ccc(-c2ccccc2-c2ccc3sc4ccccc4c3c2-c2nnnc(-c3ccccc3)c2-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C45H29N3S/c1-4-16-30(17-5-1)33-22-10-12-24-35(33)37-28-29-40-41(38-26-14-15-27-39(38)49-40)42(37)45-43(44(46-48-47-45)32-20-8-3-9-21-32)36-25-13-11-23-34(36)31-18-6-2-7-19-31/h1-29H
InChIKeyPILAPFNVHFHSQE-UHFFFAOYSA-N
MW643.82 g/mol
LogP12.24
Rot. Bonds6

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

4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine (PubChem CID 166134291) has the molecular formula C45H29N3S and a molecular weight of 643.82 g/mol. Its IUPAC name is 4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine.

Molecular Properties

Compound Name4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
PubChem CID166134291
Molecular FormulaC45H29N3S
Molecular Weight643.82 g/mol
Exact Mass643.21
IUPAC Name4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
SMILESc1ccc(-c2ccccc2-c2ccc3sc4ccccc4c3c2-c2nnnc(-c3ccccc3)c2-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C45H29N3S/c1-4-16-30(17-5-1)33-22-10-12-24-35(33)37-28-29-40-41(38-26-14-15-27-39(38)49-40)42(37)45-43(44(46-48-47-45)32-20-8-3-9-21-32)36-25-13-11-23-34(36)31-18-6-2-7-19-31/h1-29H
InChIKeyPILAPFNVHFHSQE-UHFFFAOYSA-N
XLogP12.24
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.82
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-diphenyl-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166133527
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-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134551
4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine
CID 166135108
4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine
CID 175803574
4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine
CID 166133514
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 166133543
2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine
CID 175869357
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine
CID 171060190
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 166134087
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134723
1-phenyldibenzothiophene;hydrobromide
CID 174679709

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine?
The IUPAC name of 4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine (CID 166134291) is 4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine.
What is the SMILES notation for 4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine?
The canonical SMILES for 4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine is c1ccc(-c2ccccc2-c2ccc3sc4ccccc4c3c2-c2nnnc(-c3ccccc3)c2-c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine?
The InChIKey is PILAPFNVHFHSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3S/c1-4-16-30(17-5-1)33-22-10-12-24-35(33)37-28-29-40-41(38-26-14-15-27-39(38)49-40)42(37)45-43(44(46-48-47-45)32-20-8-3-9-21-32)36-25-13-11-23-34(36)31-18-6-2-7-19-31/h1-29H.
What are the key properties of 4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine?
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine has a molecular weight of 643.82 g/mol, XLogP of 12.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine is sourced from PubChem (CID 166134291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).