2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine

C43H27N3O2 — CID 170145555

IUPAC2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CC(c2cccc3oc4ccccc4c23)Cc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccccc6c5c4)n3)cc21
InChIInChI=1S/C43H27N3O2/c1-2-9-26(10-3-1)41-44-42(46-43(45-41)31-21-22-38-35(25-31)33-11-4-6-14-36(33)47-38)30-20-18-27-23-29(19-17-28(27)24-30)32-13-8-16-39-40(32)34-12-5-7-15-37(34)48-39/h1-22,24-25,29H,23H2
InChIKeyGPGGBUYNJCTUOR-UHFFFAOYSA-N
MW617.71 g/mol
LogP11.02
Rot. Bonds4

About 2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine

2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine (PubChem CID 170145555) has the molecular formula C43H27N3O2 and a molecular weight of 617.71 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
PubChem CID170145555
Molecular FormulaC43H27N3O2
Molecular Weight617.71 g/mol
Exact Mass617.21
IUPAC Name2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CC(c2cccc3oc4ccccc4c23)Cc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccccc6c5c4)n3)cc21
InChIInChI=1S/C43H27N3O2/c1-2-9-26(10-3-1)41-44-42(46-43(45-41)31-21-22-38-35(25-31)33-11-4-6-14-36(33)47-38)30-20-18-27-23-29(19-17-28(27)24-30)32-13-8-16-39-40(32)34-12-5-7-15-37(34)48-39/h1-22,24-25,29H,23H2
InChIKeyGPGGBUYNJCTUOR-UHFFFAOYSA-N
XLogP11.02
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.71
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174001218
2-(3-dibenzofuran-1-yldibenzofuran-1-yl)-4-(1,2-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170009033
2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167008024
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304573
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167008068
2-(1,2-dihydronaphthalen-2-yl)-4-(9-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170009870
2-(4b,8a-dihydrophenanthren-2-yl)-4-dibenzofuran-2-yl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170011069
2-(1,2-dihydronaphthalen-2-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167007887
2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167182670
2-(1,2-dihydronaphthalen-2-yl)-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170422642

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine (CID 170145555) is 2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine is C1=CC(c2cccc3oc4ccccc4c23)Cc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccccc6c5c4)n3)cc21.
What is the InChIKey of 2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is GPGGBUYNJCTUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O2/c1-2-9-26(10-3-1)41-44-42(46-43(45-41)31-21-22-38-35(25-31)33-11-4-6-14-36(33)47-38)30-20-18-27-23-29(19-17-28(27)24-30)32-13-8-16-39-40(32)34-12-5-7-15-37(34)48-39/h1-22,24-25,29H,23H2.
What are the key properties of 2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 617.71 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170145555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).