2-(6,8-diphenyl-4-pyridin-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine

C44H28N4O — CID 148762875

IUPAC2-(6,8-diphenyl-4-pyridin-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5cccnc5)ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1
InChIInChI=1S/C44H28N4O/c1-5-14-29(15-6-1)34-26-37(30-16-7-2-8-17-30)40-38(27-34)39-36(24-23-35(41(39)49-40)33-22-13-25-45-28-33)44-47-42(31-18-9-3-10-19-31)46-43(48-44)32-20-11-4-12-21-32/h1-28H
InChIKeyOGWXBIPAOCRWTO-UHFFFAOYSA-N
MW628.74 g/mol
LogP11.17
Rot. Bonds6

About 2-(6,8-diphenyl-4-pyridin-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine

2-(6,8-diphenyl-4-pyridin-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 148762875) has the molecular formula C44H28N4O and a molecular weight of 628.74 g/mol. Its IUPAC name is 2-(6,8-diphenyl-4-pyridin-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(6,8-diphenyl-4-pyridin-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID148762875
Molecular FormulaC44H28N4O
Molecular Weight628.74 g/mol
Exact Mass628.23
IUPAC Name2-(6,8-diphenyl-4-pyridin-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5cccnc5)ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1
InChIInChI=1S/C44H28N4O/c1-5-14-29(15-6-1)34-26-37(30-16-7-2-8-17-30)40-38(27-34)39-36(24-23-35(41(39)49-40)33-22-13-25-45-28-33)44-47-42(31-18-9-3-10-19-31)46-43(48-44)32-20-11-4-12-21-32/h1-28H
InChIKeyOGWXBIPAOCRWTO-UHFFFAOYSA-N
XLogP11.17
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.74
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6,8-diphenyl-4-pyridin-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-dibenzofuran-3-yl-4-phenyl-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine
CID 139478984
2-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 155621889
2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 147117573
2-phenanthren-2-yl-4-phenyl-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine
CID 160632178
2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 162235382
2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 171761124
2,4-diphenyl-6-[4-[8-phenyl-6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 164838394
2-[3-[4-(4-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine
CID 159369335
2-[1-[3-(3-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 156622244
2-[6,8-bis(3-phenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496708
2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 164838475
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168483

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-diphenyl-4-pyridin-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(6,8-diphenyl-4-pyridin-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine (CID 148762875) is 2-(6,8-diphenyl-4-pyridin-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(6,8-diphenyl-4-pyridin-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(6,8-diphenyl-4-pyridin-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5cccnc5)ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1.
What is the InChIKey of 2-(6,8-diphenyl-4-pyridin-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is OGWXBIPAOCRWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O/c1-5-14-29(15-6-1)34-26-37(30-16-7-2-8-17-30)40-38(27-34)39-36(24-23-35(41(39)49-40)33-22-13-25-45-28-33)44-47-42(31-18-9-3-10-19-31)46-43(48-44)32-20-11-4-12-21-32/h1-28H.
What are the key properties of 2-(6,8-diphenyl-4-pyridin-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
2-(6,8-diphenyl-4-pyridin-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 628.74 g/mol, XLogP of 11.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-diphenyl-4-pyridin-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 148762875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).