2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-quinolin-2-yldibenzo-p-dioxin-2-yl]quinoline

C45H27N5O2 — CID 146666271

IUPAC2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-quinolin-2-yldibenzo-p-dioxin-2-yl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Oc3cc(-c5ccc6ccccc6n5)c(-c5ccc6ccccc6n5)cc3O4)n2)cc1
InChIInChI=1S/C45H27N5O2/c1-3-13-30(14-4-1)43-48-44(31-15-5-2-6-16-31)50-45(49-43)32-21-24-39-40(25-32)52-42-27-34(38-23-20-29-12-8-10-18-36(29)47-38)33(26-41(42)51-39)37-22-19-28-11-7-9-17-35(28)46-37/h1-27H
InChIKeyAXQKFPHZPOHSGV-UHFFFAOYSA-N
MW669.74 g/mol
LogP11.20
Rot. Bonds5

About 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-quinolin-2-yldibenzo-p-dioxin-2-yl]quinoline

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-quinolin-2-yldibenzo-p-dioxin-2-yl]quinoline (PubChem CID 146666271) has the molecular formula C45H27N5O2 and a molecular weight of 669.74 g/mol. Its IUPAC name is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-quinolin-2-yldibenzo-p-dioxin-2-yl]quinoline.

Molecular Properties

Compound Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-quinolin-2-yldibenzo-p-dioxin-2-yl]quinoline
PubChem CID146666271
Molecular FormulaC45H27N5O2
Molecular Weight669.74 g/mol
Exact Mass669.22
IUPAC Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-quinolin-2-yldibenzo-p-dioxin-2-yl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Oc3cc(-c5ccc6ccccc6n5)c(-c5ccc6ccccc6n5)cc3O4)n2)cc1
InChIInChI=1S/C45H27N5O2/c1-3-13-30(14-4-1)43-48-44(31-15-5-2-6-16-31)50-45(49-43)32-21-24-39-40(25-32)52-42-27-34(38-23-20-29-12-8-10-18-36(29)47-38)33(26-41(42)51-39)37-22-19-28-11-7-9-17-35(28)46-37/h1-27H
InChIKeyAXQKFPHZPOHSGV-UHFFFAOYSA-N
XLogP11.20
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.74
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-quinolin-2-yldibenzo-p-dioxin-2-yl]quinoline with MolForge

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Related Compounds

2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]quinoline
CID 160919258
2-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinoline
CID 129265578
7-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-quinolin-7-yldibenzo-p-dioxin-2-yl]quinoline
CID 146666292
2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline
CID 170652153
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinoline
CID 176588455
2-[2-dibenzo-p-dioxin-2-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 174257491
2-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-4,6-diphenyl-1,3,5-triazine
CID 138573631
2-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
CID 167178476
4-[3-(4-cyanonaphthalen-1-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzo-p-dioxin-2-yl]naphthalene-1-carbonitrile
CID 146666549
2-[3-[4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-2-ylphenyl]quinoline
CID 118582380
2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164937287
2-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164937190

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-quinolin-2-yldibenzo-p-dioxin-2-yl]quinoline?
The IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-quinolin-2-yldibenzo-p-dioxin-2-yl]quinoline (CID 146666271) is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-quinolin-2-yldibenzo-p-dioxin-2-yl]quinoline.
What is the SMILES notation for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-quinolin-2-yldibenzo-p-dioxin-2-yl]quinoline?
The canonical SMILES for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-quinolin-2-yldibenzo-p-dioxin-2-yl]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Oc3cc(-c5ccc6ccccc6n5)c(-c5ccc6ccccc6n5)cc3O4)n2)cc1.
What is the InChIKey of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-quinolin-2-yldibenzo-p-dioxin-2-yl]quinoline?
The InChIKey is AXQKFPHZPOHSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5O2/c1-3-13-30(14-4-1)43-48-44(31-15-5-2-6-16-31)50-45(49-43)32-21-24-39-40(25-32)52-42-27-34(38-23-20-29-12-8-10-18-36(29)47-38)33(26-41(42)51-39)37-22-19-28-11-7-9-17-35(28)46-37/h1-27H.
What are the key properties of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-quinolin-2-yldibenzo-p-dioxin-2-yl]quinoline?
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-quinolin-2-yldibenzo-p-dioxin-2-yl]quinoline has a molecular weight of 669.74 g/mol, XLogP of 11.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-quinolin-2-yldibenzo-p-dioxin-2-yl]quinoline is sourced from PubChem (CID 146666271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).