2-[4-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5a,9a-dihydrodibenzo-p-dioxin-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C61H41N5O2 — CID 154950860

IUPAC2-[4-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5a,9a-dihydrodibenzo-p-dioxin-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESC1=CC2Oc3c(-c4ccc(-c5ccc(-c6cc(-c7ccccn7)cc(-c7ccccn7)c6)cc5)cc4)ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3OC2C=C1
InChIInChI=1S/C61H41N5O2/c1-3-14-40(15-4-1)46-18-13-19-47(36-46)60-64-59(45-16-5-2-6-17-45)65-61(66-60)52-33-32-51(57-58(52)68-56-23-8-7-22-55(56)67-57)44-30-28-42(29-31-44)41-24-26-43(27-25-41)48-37-49(53-20-9-11-34-62-53)39-50(38-48)54-21-10-12-35-63-54/h1-39,55-56H
InChIKeyQIQCSSRVYWENTF-UHFFFAOYSA-N
MW876.03 g/mol
LogP14.30
Rot. Bonds9

About 2-[4-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5a,9a-dihydrodibenzo-p-dioxin-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-[4-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5a,9a-dihydrodibenzo-p-dioxin-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 154950860) has the molecular formula C61H41N5O2 and a molecular weight of 876.03 g/mol. Its IUPAC name is 2-[4-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5a,9a-dihydrodibenzo-p-dioxin-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5a,9a-dihydrodibenzo-p-dioxin-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID154950860
Molecular FormulaC61H41N5O2
Molecular Weight876.03 g/mol
Exact Mass875.33
IUPAC Name2-[4-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5a,9a-dihydrodibenzo-p-dioxin-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESC1=CC2Oc3c(-c4ccc(-c5ccc(-c6cc(-c7ccccn7)cc(-c7ccccn7)c6)cc5)cc4)ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3OC2C=C1
InChIInChI=1S/C61H41N5O2/c1-3-14-40(15-4-1)46-18-13-19-47(36-46)60-64-59(45-16-5-2-6-17-45)65-61(66-60)52-33-32-51(57-58(52)68-56-23-8-7-22-55(56)67-57)44-30-28-42(29-31-44)41-24-26-43(27-25-41)48-37-49(53-20-9-11-34-62-53)39-50(38-48)54-21-10-12-35-63-54/h1-39,55-56H
InChIKeyQIQCSSRVYWENTF-UHFFFAOYSA-N
XLogP14.30
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.03
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5a,9a-dihydrodibenzo-p-dioxin-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-[4-[4-(3,5-dipyridin-2-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 154950847
2-[4-[4-(3,5-dipyridin-2-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154950863
2-[4-(3,5-dipyridin-4-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 154950878
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 59510704
2-dibenzofuran-4-yl-4-[4-[4-[4-(3,5-dipyridin-3-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154950833
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 163633543
2-[3-phenyl-4-(3-phenylphenyl)phenyl]-4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazine
CID 146187345
2,4-diphenyl-6-[3-phenyl-5-[3-[3-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-phenyl-5-[3-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 159392802
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730883
2-(2,5-diphenylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052606

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5a,9a-dihydrodibenzo-p-dioxin-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5a,9a-dihydrodibenzo-p-dioxin-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 154950860) is 2-[4-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5a,9a-dihydrodibenzo-p-dioxin-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5a,9a-dihydrodibenzo-p-dioxin-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5a,9a-dihydrodibenzo-p-dioxin-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is C1=CC2Oc3c(-c4ccc(-c5ccc(-c6cc(-c7ccccn7)cc(-c7ccccn7)c6)cc5)cc4)ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3OC2C=C1.
What is the InChIKey of 2-[4-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5a,9a-dihydrodibenzo-p-dioxin-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is QIQCSSRVYWENTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N5O2/c1-3-14-40(15-4-1)46-18-13-19-47(36-46)60-64-59(45-16-5-2-6-17-45)65-61(66-60)52-33-32-51(57-58(52)68-56-23-8-7-22-55(56)67-57)44-30-28-42(29-31-44)41-24-26-43(27-25-41)48-37-49(53-20-9-11-34-62-53)39-50(38-48)54-21-10-12-35-63-54/h1-39,55-56H.
What are the key properties of 2-[4-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5a,9a-dihydrodibenzo-p-dioxin-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-[4-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5a,9a-dihydrodibenzo-p-dioxin-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 876.03 g/mol, XLogP of 14.30, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5a,9a-dihydrodibenzo-p-dioxin-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 154950860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).