7-dibenzofuran-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine

C42H26N4O2 — CID 163894153

IUPAC7-dibenzofuran-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
SMILESC1=Cc2c(oc3cc(-c4cccc5c4oc4ccccc45)cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c23)CN1
InChIInChI=1S/C42H26N4O2/c1-2-10-26(11-3-1)40-44-41(28-18-17-25-9-4-5-12-27(25)21-28)46-42(45-40)34-22-29(23-36-38(34)33-19-20-43-24-37(33)47-36)30-14-8-15-32-31-13-6-7-16-35(31)48-39(30)32/h1-23,43H,24H2
InChIKeyQEDIHBVUGNMXTM-UHFFFAOYSA-N
MW618.70 g/mol
LogP10.41
Rot. Bonds4

About 7-dibenzofuran-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine

7-dibenzofuran-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine (PubChem CID 163894153) has the molecular formula C42H26N4O2 and a molecular weight of 618.70 g/mol. Its IUPAC name is 7-dibenzofuran-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name7-dibenzofuran-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
PubChem CID163894153
Molecular FormulaC42H26N4O2
Molecular Weight618.70 g/mol
Exact Mass618.21
IUPAC Name7-dibenzofuran-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
SMILESC1=Cc2c(oc3cc(-c4cccc5c4oc4ccccc45)cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c23)CN1
InChIInChI=1S/C42H26N4O2/c1-2-10-26(11-3-1)40-44-41(28-18-17-25-9-4-5-12-27(25)21-28)46-42(45-40)34-22-29(23-36-38(34)33-19-20-43-24-37(33)47-36)30-14-8-15-32-31-13-6-7-16-35(31)48-39(30)32/h1-23,43H,24H2
InChIKeyQEDIHBVUGNMXTM-UHFFFAOYSA-N
XLogP10.41
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 510.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-dibenzofuran-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine with MolForge

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Related Compounds

5-[4-dibenzofuran-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
CID 166801351
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-(3-dibenzofuran-4-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 170363777
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-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741524
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 153466225
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176765189
8-dibenzofuran-4-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-dibenzofuran-4-yl-10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-dibenzofuran-4-yl-10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]quinoline
CID 167558776
bis(2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);bis(2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159519330

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 7-dibenzofuran-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine (CID 163894153) is 7-dibenzofuran-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 7-dibenzofuran-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 7-dibenzofuran-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine is C1=Cc2c(oc3cc(-c4cccc5c4oc4ccccc45)cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c23)CN1.
What is the InChIKey of 7-dibenzofuran-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine?
The InChIKey is QEDIHBVUGNMXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O2/c1-2-10-26(11-3-1)40-44-41(28-18-17-25-9-4-5-12-27(25)21-28)46-42(45-40)34-22-29(23-36-38(34)33-19-20-43-24-37(33)47-36)30-14-8-15-32-31-13-6-7-16-35(31)48-39(30)32/h1-23,43H,24H2.
What are the key properties of 7-dibenzofuran-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine?
7-dibenzofuran-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine has a molecular weight of 618.70 g/mol, XLogP of 10.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzofuran-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 163894153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).