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

C43H25N3O2 — CID 171430791

IUPAC2-(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
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c2oc2c([2H])c(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccc(-c6ccccc6)cc45)n3)c([2H])c([2H])c21
InChIInChI=1S/C43H25N3O2/c1-3-9-26(10-4-1)29-18-22-37-36(23-29)34-20-17-30(24-38(34)47-37)42-44-41(28-12-5-2-6-13-28)45-43(46-42)31-16-19-33-35-21-15-27-11-7-8-14-32(27)40(35)48-39(33)25-31/h1-25H/i7D,8D,11D,14D,15D,16D,19D,21D,25D
InChIKeyIAZMYGUHBLHVCK-XDHNHGDVSA-N
MW624.75 g/mol
LogP11.49
Rot. Bonds4

About 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

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 (PubChem CID 171430791) has the molecular formula C43H25N3O2 and a molecular weight of 624.75 g/mol. Its IUPAC name is 2-(1,2,3,4,5,6,7,8,10-nonadeuterionaphtho[1,2-b][1]benzofuran-9-yl)-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(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
PubChem CID171430791
Molecular FormulaC43H25N3O2
Molecular Weight624.75 g/mol
Exact Mass624.25
IUPAC Name2-(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
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c2oc2c([2H])c(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccc(-c6ccccc6)cc45)n3)c([2H])c([2H])c21
InChIInChI=1S/C43H25N3O2/c1-3-9-26(10-4-1)29-18-22-37-36(23-29)34-20-17-30(24-38(34)47-37)42-44-41(28-12-5-2-6-13-28)45-43(46-42)31-16-19-33-35-21-15-27-11-7-8-14-32(27)40(35)48-39(33)25-31/h1-25H/i7D,8D,11D,14D,15D,16D,19D,21D,25D
InChIKeyIAZMYGUHBLHVCK-XDHNHGDVSA-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-(1,2,3,4,5,6,7,8,10-nonadeuterionaphtho[1,2-b][1]benzofuran-9-yl)-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-3-yl-4-[1,2,4,7,8,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168749025
2-[3-(1,2,3,4,5,6,7,8,10-nonadeuterionaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-4-(8-phenyldibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 171430964
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-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168748692
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
2-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 169280134
2-[1,2,4,7,8,9-hexadeuterio-6-(2-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170514622
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
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 168748912

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c2oc2c([2H])c(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccc(-c6ccccc6)cc45)n3)c([2H])c([2H])c21.
What is the InChIKey of 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?
The InChIKey is IAZMYGUHBLHVCK-XDHNHGDVSA-N. The full InChI is InChI=1S/C43H25N3O2/c1-3-9-26(10-4-1)29-18-22-37-36(23-29)34-20-17-30(24-38(34)47-37)42-44-41(28-12-5-2-6-13-28)45-43(46-42)31-16-19-33-35-21-15-27-11-7-8-14-32(27)40(35)48-39(33)25-31/h1-25H/i7D,8D,11D,14D,15D,16D,19D,21D,25D.
What are the key properties of 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?
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 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-(1,2,3,4,5,6,7,8,10-nonadeuterionaphtho[1,2-b][1]benzofuran-9-yl)-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine is sourced from PubChem (CID 171430791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).