2-phenyl-4-(4-phenylphenyl)-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine

C43H27N5S — CID 134380833

IUPAC2-phenyl-4-(4-phenylphenyl)-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6ccc(-c7ccc(-c8ccncc8)cn7)cc6c5c4)n3)cc2)cc1
InChIInChI=1S/C43H27N5S/c1-3-7-28(8-4-1)29-11-13-32(14-12-29)42-46-41(31-9-5-2-6-10-31)47-43(48-42)34-17-20-40-37(26-34)36-25-33(16-19-39(36)49-40)38-18-15-35(27-45-38)30-21-23-44-24-22-30/h1-27H
InChIKeyNVAFPFZAZTXGLM-UHFFFAOYSA-N
MW645.79 g/mol
LogP11.03
Rot. Bonds6

About 2-phenyl-4-(4-phenylphenyl)-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine

2-phenyl-4-(4-phenylphenyl)-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine (PubChem CID 134380833) has the molecular formula C43H27N5S and a molecular weight of 645.79 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine
PubChem CID134380833
Molecular FormulaC43H27N5S
Molecular Weight645.79 g/mol
Exact Mass645.20
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6ccc(-c7ccc(-c8ccncc8)cn7)cc6c5c4)n3)cc2)cc1
InChIInChI=1S/C43H27N5S/c1-3-7-28(8-4-1)29-11-13-32(14-12-29)42-46-41(31-9-5-2-6-10-31)47-43(48-42)34-17-20-40-37(26-34)36-25-33(16-19-39(36)49-40)38-18-15-35(27-45-38)30-21-23-44-24-22-30/h1-27H
InChIKeyNVAFPFZAZTXGLM-UHFFFAOYSA-N
XLogP11.03
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.79
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-phenyl-4-(4-phenylphenyl)-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[7-(5-pyridin-4-yl-2-pyridinyl)triphenylen-2-yl]-1,3,5-triazine
CID 134380984
2-phenyl-4-(4-phenylphenyl)-6-[8-(6-pyridin-2-yl-3-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine
CID 134380771
2,4-diphenyl-6-[8-(6-pyridin-4-yl-3-pyridinyl)dibenzofuran-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-(6-pyridin-2-yl-3-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-(6-pyridin-3-yl-3-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-(6-pyridin-4-yl-3-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine
CID 158037058
2,4-diphenyl-6-[3-[4-(6-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380937
2-phenyl-4-(4-phenylphenyl)-6-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 134380944
2-[3,5-bis(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(5-phenyl-2-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158691631
2,4-diphenyl-6-[8-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 166952615
2,4-diphenyl-6-[8-[4-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 155329014
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380728
2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(6-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380773
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine
CID 155049982
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171597129

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine (CID 134380833) is 2-phenyl-4-(4-phenylphenyl)-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6ccc(-c7ccc(-c8ccncc8)cn7)cc6c5c4)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine?
The InChIKey is NVAFPFZAZTXGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5S/c1-3-7-28(8-4-1)29-11-13-32(14-12-29)42-46-41(31-9-5-2-6-10-31)47-43(48-42)34-17-20-40-37(26-34)36-25-33(16-19-39(36)49-40)38-18-15-35(27-45-38)30-21-23-44-24-22-30/h1-27H.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine?
2-phenyl-4-(4-phenylphenyl)-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine has a molecular weight of 645.79 g/mol, XLogP of 11.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 134380833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).