2-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine

C43H25N3O2 — CID 171431014

IUPAC2-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILES[2H]c1c(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)cc4oc5ccccc5c34)n2)c([2H])c2c(oc3c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c([2H])c32)c1[2H]
InChIInChI=1S/C43H25N3O2/c1-3-11-26(12-4-1)30-24-35(39-33-17-9-10-18-36(33)47-38(39)25-30)43-45-41(28-14-5-2-6-15-28)44-42(46-43)29-20-22-37-34(23-29)32-21-19-27-13-7-8-16-31(27)40(32)48-37/h1-25H/i7D,8D,13D,16D,19D,20D,21D,22D,23D
InChIKeyMXWNEZFNQWOZSH-CWFHLIEMSA-N
MW624.75 g/mol
LogP11.49
Rot. Bonds4

About 2-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine

2-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 171431014) has the molecular formula C43H25N3O2 and a molecular weight of 624.75 g/mol. Its IUPAC name is 2-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID171431014
Molecular FormulaC43H25N3O2
Molecular Weight624.75 g/mol
Exact Mass624.25
IUPAC Name2-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILES[2H]c1c(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)cc4oc5ccccc5c34)n2)c([2H])c2c(oc3c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c([2H])c32)c1[2H]
InChIInChI=1S/C43H25N3O2/c1-3-11-26(12-4-1)30-24-35(39-33-17-9-10-18-36(33)47-38(39)25-30)43-45-41(28-14-5-2-6-15-28)44-42(46-43)29-20-22-37-34(23-29)32-21-19-27-13-7-8-16-31(27)40(32)48-37/h1-25H/i7D,8D,13D,16D,19D,20D,21D,22D,23D
InChIKeyMXWNEZFNQWOZSH-CWFHLIEMSA-N
XLogP11.49
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.75
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-[3-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168730539
2-[4-(1,2,3,4,5,6,7,8,9-nonadeuterionaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171431049
2-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4-phenyl-6-(1-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171430958
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162450867
2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 148977873
2-dibenzofuran-3-yl-4-[1,2,3,6,7,9-hexadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168748860
2-(1,2,3,4,5,6,7,8,10-nonadeuterionaphtho[1,2-b][1]benzofuran-9-yl)-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171430791
2-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 171430765
2-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 169279980
2-(1,2,4,6,7,8-hexadeuterio-9-phenyldibenzothiophen-3-yl)-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 177107077
2-(3,5-diphenylphenyl)-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174259251
2-[4-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171430889

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine (CID 171431014) is 2-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine is [2H]c1c(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)cc4oc5ccccc5c34)n2)c([2H])c2c(oc3c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c([2H])c32)c1[2H].
What is the InChIKey of 2-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is MXWNEZFNQWOZSH-CWFHLIEMSA-N. The full InChI is InChI=1S/C43H25N3O2/c1-3-11-26(12-4-1)30-24-35(39-33-17-9-10-18-36(33)47-38(39)25-30)43-45-41(28-14-5-2-6-15-28)44-42(46-43)29-20-22-37-34(23-29)32-21-19-27-13-7-8-16-31(27)40(32)48-37/h1-25H/i7D,8D,13D,16D,19D,20D,21D,22D,23D.
What are the key properties of 2-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine?
2-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 624.75 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 171431014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).