2-dibenzofuran-4-yl-4-(8-methylnaphtho[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine

C38H23N3O2 — CID 163589467

IUPAC2-dibenzofuran-4-yl-4-(8-methylnaphtho[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine
SMILESCc1cccc2c1oc1ccc3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)ccc3c12
InChIInChI=1S/C38H23N3O2/c1-22-9-7-14-29-33-26-19-17-25(21-24(26)18-20-32(33)43-34(22)29)37-39-36(23-10-3-2-4-11-23)40-38(41-37)30-15-8-13-28-27-12-5-6-16-31(27)42-35(28)30/h2-21H,1H3
InChIKeyGOHGCLVMGAVDBD-UHFFFAOYSA-N
MW553.62 g/mol
LogP10.13
Rot. Bonds3

About 2-dibenzofuran-4-yl-4-(8-methylnaphtho[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine

2-dibenzofuran-4-yl-4-(8-methylnaphtho[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine (PubChem CID 163589467) has the molecular formula C38H23N3O2 and a molecular weight of 553.62 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(8-methylnaphtho[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(8-methylnaphtho[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine
PubChem CID163589467
Molecular FormulaC38H23N3O2
Molecular Weight553.62 g/mol
Exact Mass553.18
IUPAC Name2-dibenzofuran-4-yl-4-(8-methylnaphtho[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine
SMILESCc1cccc2c1oc1ccc3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)ccc3c12
InChIInChI=1S/C38H23N3O2/c1-22-9-7-14-29-33-26-19-17-25(21-24(26)18-20-32(33)43-34(22)29)37-39-36(23-10-3-2-4-11-23)40-38(41-37)30-15-8-13-28-27-12-5-6-16-31(27)42-35(28)30/h2-21H,1H3
InChIKeyGOHGCLVMGAVDBD-UHFFFAOYSA-N
XLogP10.13
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.62
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 169278592
2-chrysen-2-yl-4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazine
CID 170131612
2-dibenzofuran-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952322
2-dibenzofuran-3-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 166952205
2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016879
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-phenyl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121
2-dibenzofuran-4-yl-4-[3-[3-(6-naphtho[2,1-b][1]benzofuran-10-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614048
2-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795
2-(7-dibenzofuran-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952829
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(8-methylnaphtho[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(8-methylnaphtho[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine (CID 163589467) is 2-dibenzofuran-4-yl-4-(8-methylnaphtho[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(8-methylnaphtho[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(8-methylnaphtho[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine is Cc1cccc2c1oc1ccc3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)ccc3c12.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(8-methylnaphtho[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is GOHGCLVMGAVDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3O2/c1-22-9-7-14-29-33-26-19-17-25(21-24(26)18-20-32(33)43-34(22)29)37-39-36(23-10-3-2-4-11-23)40-38(41-37)30-15-8-13-28-27-12-5-6-16-31(27)42-35(28)30/h2-21H,1H3.
What are the key properties of 2-dibenzofuran-4-yl-4-(8-methylnaphtho[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(8-methylnaphtho[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 553.62 g/mol, XLogP of 10.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(8-methylnaphtho[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 163589467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).