2-[2-[(Z)-3-(2-ethenyl-1-benzofuran-3-yl)prop-2-enyl]dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

C48H31N3O2 — CID 170245015

IUPAC2-[2-[(Z)-3-(2-ethenyl-1-benzofuran-3-yl)prop-2-enyl]dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESC=Cc1oc2ccccc2c1/C=C\Cc1ccc2oc3ccccc3c2c1-c1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C48H31N3O2/c1-2-40-37(38-17-7-9-20-41(38)52-40)19-11-16-32-26-27-43-45(39-18-8-10-21-42(39)53-43)44(32)48-50-46(35-24-22-30-12-3-5-14-33(30)28-35)49-47(51-48)36-25-23-31-13-4-6-15-34(31)29-36/h2-15,17-29H,1,16H2/b19-11-
InChIKeyNLABIGDWTYJVID-ODLFYWEKSA-N
MW681.80 g/mol
LogP12.72
Rot. Bonds7

About 2-[2-[(Z)-3-(2-ethenyl-1-benzofuran-3-yl)prop-2-enyl]dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-[2-[(Z)-3-(2-ethenyl-1-benzofuran-3-yl)prop-2-enyl]dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 170245015) has the molecular formula C48H31N3O2 and a molecular weight of 681.80 g/mol. Its IUPAC name is 2-[2-[(Z)-3-(2-ethenyl-1-benzofuran-3-yl)prop-2-enyl]dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-[(Z)-3-(2-ethenyl-1-benzofuran-3-yl)prop-2-enyl]dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID170245015
Molecular FormulaC48H31N3O2
Molecular Weight681.80 g/mol
Exact Mass681.24
IUPAC Name2-[2-[(Z)-3-(2-ethenyl-1-benzofuran-3-yl)prop-2-enyl]dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESC=Cc1oc2ccccc2c1/C=C\Cc1ccc2oc3ccccc3c2c1-c1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C48H31N3O2/c1-2-40-37(38-17-7-9-20-41(38)52-40)19-11-16-32-26-27-43-45(39-18-8-10-21-42(39)53-43)44(32)48-50-46(35-24-22-30-12-3-5-14-33(30)28-35)49-47(51-48)36-25-23-31-13-4-6-15-34(31)29-36/h2-15,17-29H,1,16H2/b19-11-
InChIKeyNLABIGDWTYJVID-ODLFYWEKSA-N
XLogP12.72
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.80
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(Z)-3-(2-ethenyl-1-benzofuran-3-yl)prop-2-enyl]dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine with MolForge

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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-dibenzofuran-4-yl-4-[2-[(2Z,4Z)-hepta-2,4,6-trienyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 170231318
2-naphthalen-2-yl-4-(1-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176616808
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine
CID 166848241
2-naphthalen-2-yl-4-phenyl-6-[1-(6-phenylnaphthalen-2-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 163653922
2-dibenzofuran-1-yl-4-(2-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743045
9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 167032751
2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737131
2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine
CID 168844978
2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741406
2-[2-[(1Z)-buta-1,3-dienyl]-4-dibenzofuran-4-yl-1-benzofuran-3-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 170292410

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-3-(2-ethenyl-1-benzofuran-3-yl)prop-2-enyl]dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-[2-[(Z)-3-(2-ethenyl-1-benzofuran-3-yl)prop-2-enyl]dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 170245015) is 2-[2-[(Z)-3-(2-ethenyl-1-benzofuran-3-yl)prop-2-enyl]dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[2-[(Z)-3-(2-ethenyl-1-benzofuran-3-yl)prop-2-enyl]dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[2-[(Z)-3-(2-ethenyl-1-benzofuran-3-yl)prop-2-enyl]dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is C=Cc1oc2ccccc2c1/C=C\Cc1ccc2oc3ccccc3c2c1-c1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 2-[2-[(Z)-3-(2-ethenyl-1-benzofuran-3-yl)prop-2-enyl]dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is NLABIGDWTYJVID-ODLFYWEKSA-N. The full InChI is InChI=1S/C48H31N3O2/c1-2-40-37(38-17-7-9-20-41(38)52-40)19-11-16-32-26-27-43-45(39-18-8-10-21-42(39)53-43)44(32)48-50-46(35-24-22-30-12-3-5-14-33(30)28-35)49-47(51-48)36-25-23-31-13-4-6-15-34(31)29-36/h2-15,17-29H,1,16H2/b19-11-.
What are the key properties of 2-[2-[(Z)-3-(2-ethenyl-1-benzofuran-3-yl)prop-2-enyl]dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-[2-[(Z)-3-(2-ethenyl-1-benzofuran-3-yl)prop-2-enyl]dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 681.80 g/mol, XLogP of 12.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-3-(2-ethenyl-1-benzofuran-3-yl)prop-2-enyl]dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 170245015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).