2-[2-(2,3-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

C47H29N3O2 — CID 170127848

IUPAC2-[2-(2,3-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESC1=c2c(oc3ccccc23)=C(c2ccc3oc4ccccc4c3c2-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C47H29N3O2/c1-3-12-30-26-32(22-20-28(30)10-1)45-48-46(33-23-21-29-11-2-4-13-31(29)27-33)50-47(49-45)43-35(24-25-41-42(43)38-15-6-8-19-40(38)51-41)37-17-9-16-36-34-14-5-7-18-39(34)52-44(36)37/h1-8,10-16,18-27H,9,17H2
InChIKeyYOXMDHWUFBZJKH-UHFFFAOYSA-N
MW667.77 g/mol
LogP10.60
Rot. Bonds4

About 2-[2-(2,3-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-[2-(2,3-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 170127848) has the molecular formula C47H29N3O2 and a molecular weight of 667.77 g/mol. Its IUPAC name is 2-[2-(2,3-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(2,3-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID170127848
Molecular FormulaC47H29N3O2
Molecular Weight667.77 g/mol
Exact Mass667.23
IUPAC Name2-[2-(2,3-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESC1=c2c(oc3ccccc23)=C(c2ccc3oc4ccccc4c3c2-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C47H29N3O2/c1-3-12-30-26-32(22-20-28(30)10-1)45-48-46(33-23-21-29-11-2-4-13-31(29)27-33)50-47(49-45)43-35(24-25-41-42(43)38-15-6-8-19-40(38)51-41)37-17-9-16-36-34-14-5-7-18-39(34)52-44(36)37/h1-8,10-16,18-27H,9,17H2
InChIKeyYOXMDHWUFBZJKH-UHFFFAOYSA-N
XLogP10.60
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.77
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741483
2-naphthalen-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742408
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-naphthalen-2-yl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170006850
2-dibenzofuran-1-yl-4-(2-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743045
2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(2-phenanthren-3-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166742322
2-naphthalen-2-yl-4-(1-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176616808
2-dibenzofuran-2-yl-4-phenanthren-2-yl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741485
2-[2-(2,3-dihydronaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 170229900
2-naphthalen-2-yl-4-phenyl-6-[1-(6-phenylnaphthalen-2-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 163653922
2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 170246998
2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741406
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166742865

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-[2-(2,3-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 170127848) is 2-[2-(2,3-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(2,3-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[2-(2,3-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is C1=c2c(oc3ccccc23)=C(c2ccc3oc4ccccc4c3c2-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)CC1.
What is the InChIKey of 2-[2-(2,3-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is YOXMDHWUFBZJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O2/c1-3-12-30-26-32(22-20-28(30)10-1)45-48-46(33-23-21-29-11-2-4-13-31(29)27-33)50-47(49-45)43-35(24-25-41-42(43)38-15-6-8-19-40(38)51-41)37-17-9-16-36-34-14-5-7-18-39(34)52-44(36)37/h1-8,10-16,18-27H,9,17H2.
What are the key properties of 2-[2-(2,3-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-[2-(2,3-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 667.77 g/mol, XLogP of 10.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 170127848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).