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

C49H33N5O2 — CID 154950863

IUPAC2-[4-[4-(3,5-dipyridin-2-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=CC2Oc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)c3OC2C=C1
InChIInChI=1S/C49H33N5O2/c1-3-13-33(14-4-1)47-52-48(34-15-5-2-6-16-34)54-49(53-47)35-23-21-32(22-24-35)39-25-26-40(46-45(39)55-43-19-7-8-20-44(43)56-46)36-29-37(41-17-9-11-27-50-41)31-38(30-36)42-18-10-12-28-51-42/h1-31,43-44H
InChIKeyFUJBHJDVHSPOGE-UHFFFAOYSA-N
MW723.84 g/mol
LogP10.97
Rot. Bonds7

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

2-[4-[4-(3,5-dipyridin-2-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 154950863) has the molecular formula C49H33N5O2 and a molecular weight of 723.84 g/mol. Its IUPAC name is 2-[4-[4-(3,5-dipyridin-2-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-(3,5-dipyridin-2-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID154950863
Molecular FormulaC49H33N5O2
Molecular Weight723.84 g/mol
Exact Mass723.26
IUPAC Name2-[4-[4-(3,5-dipyridin-2-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=CC2Oc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)c3OC2C=C1
InChIInChI=1S/C49H33N5O2/c1-3-13-33(14-4-1)47-52-48(34-15-5-2-6-16-34)54-49(53-47)35-23-21-32(22-24-35)39-25-26-40(46-45(39)55-43-19-7-8-20-44(43)56-46)36-29-37(41-17-9-11-27-50-41)31-38(30-36)42-18-10-12-28-51-42/h1-31,43-44H
InChIKeyFUJBHJDVHSPOGE-UHFFFAOYSA-N
XLogP10.97
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.84
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-[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
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-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730918
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-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 118582359
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-[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-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 59510704
2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine
CID 146568414
2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine
CID 176843193

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3,5-dipyridin-2-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 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) is 2-[4-[4-(3,5-dipyridin-2-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-(3,5-dipyridin-2-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-(3,5-dipyridin-2-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is C1=CC2Oc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)c3OC2C=C1.
What is the InChIKey of 2-[4-[4-(3,5-dipyridin-2-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is FUJBHJDVHSPOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N5O2/c1-3-13-33(14-4-1)47-52-48(34-15-5-2-6-16-34)54-49(53-47)35-23-21-32(22-24-35)39-25-26-40(46-45(39)55-43-19-7-8-20-44(43)56-46)36-29-37(41-17-9-11-27-50-41)31-38(30-36)42-18-10-12-28-51-42/h1-31,43-44H.
What are the key properties of 2-[4-[4-(3,5-dipyridin-2-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[4-(3,5-dipyridin-2-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 723.84 g/mol, XLogP of 10.97, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3,5-dipyridin-2-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 154950863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).