2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine

C47H27N3O2 — CID 171399233

IUPAC2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4oc5cccc(-c6ccc7c(c6)oc6c8ccccc8ccc76)c5c4c3)n2)cc1
InChIInChI=1S/C47H27N3O2/c1-2-11-30(12-3-1)45-48-46(33-18-17-28-9-4-5-13-31(28)25-33)50-47(49-45)34-21-24-40-39(26-34)43-35(15-8-16-41(43)51-40)32-20-22-37-38-23-19-29-10-6-7-14-36(29)44(38)52-42(37)27-32/h1-27H
InChIKeyBRCFIDUQJPBFKF-UHFFFAOYSA-N
MW665.75 g/mol
LogP12.64
Rot. Bonds4

About 2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine

2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine (PubChem CID 171399233) has the molecular formula C47H27N3O2 and a molecular weight of 665.75 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine
PubChem CID171399233
Molecular FormulaC47H27N3O2
Molecular Weight665.75 g/mol
Exact Mass665.21
IUPAC Name2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4oc5cccc(-c6ccc7c(c6)oc6c8ccccc8ccc76)c5c4c3)n2)cc1
InChIInChI=1S/C47H27N3O2/c1-2-11-30(12-3-1)45-48-46(33-18-17-28-9-4-5-13-31(28)25-33)50-47(49-45)34-21-24-40-39(26-34)43-35(15-8-16-41(43)51-40)32-20-22-37-38-23-19-29-10-6-7-14-36(29)44(38)52-42(37)27-32/h1-27H
InChIKeyBRCFIDUQJPBFKF-UHFFFAOYSA-N
XLogP12.64
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.75
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-3-yl-4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 176765102
2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742625
2,4-dinaphthalen-2-yl-6-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,3,5-triazine
CID 170362703
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-(9-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 165077353
2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 170926832
2-dibenzofuran-3-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741074
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742622
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 176844444
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741524
2-naphthalen-2-yl-4-(8-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741491
2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 163425897
2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146937839

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine (CID 171399233) is 2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4oc5cccc(-c6ccc7c(c6)oc6c8ccccc8ccc76)c5c4c3)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is BRCFIDUQJPBFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3O2/c1-2-11-30(12-3-1)45-48-46(33-18-17-28-9-4-5-13-31(28)25-33)50-47(49-45)34-21-24-40-39(26-34)43-35(15-8-16-41(43)51-40)32-20-22-37-38-23-19-29-10-6-7-14-36(29)44(38)52-42(37)27-32/h1-27H.
What are the key properties of 2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine?
2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 665.75 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 171399233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).