2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[7-[(E)-2-[2-[(Z)-prop-1-enyl]-1-benzofuran-3-yl]ethenyl]dibenzofuran-1-yl]-1,3,5-triazine

C50H33N3O2 — CID 170133595

IUPAC2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[7-[(E)-2-[2-[(Z)-prop-1-enyl]-1-benzofuran-3-yl]ethenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESC/C=C\c1oc2ccccc2c1/C=C/c1ccc2c(c1)oc1cccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccc(-c6ccccc6)cc5c4)n3)c12
InChIInChI=1S/C50H33N3O2/c1-2-12-43-40(39-17-9-10-19-44(39)54-43)27-21-32-22-28-41-46(29-32)55-45-20-11-18-42(47(41)45)50-52-48(35-15-7-4-8-16-35)51-49(53-50)37-26-24-34-23-25-36(30-38(34)31-37)33-13-5-3-6-14-33/h2-31H,1H3/b12-2-,27-21+
InChIKeyIBSLKKXMLIBRBJ-IYQSBRDFSA-N
MW707.83 g/mol
LogP13.54
Rot. Bonds7

About 2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[7-[(E)-2-[2-[(Z)-prop-1-enyl]-1-benzofuran-3-yl]ethenyl]dibenzofuran-1-yl]-1,3,5-triazine

2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[7-[(E)-2-[2-[(Z)-prop-1-enyl]-1-benzofuran-3-yl]ethenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 170133595) has the molecular formula C50H33N3O2 and a molecular weight of 707.83 g/mol. Its IUPAC name is 2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[7-[(E)-2-[2-[(Z)-prop-1-enyl]-1-benzofuran-3-yl]ethenyl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[7-[(E)-2-[2-[(Z)-prop-1-enyl]-1-benzofuran-3-yl]ethenyl]dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID170133595
Molecular FormulaC50H33N3O2
Molecular Weight707.83 g/mol
Exact Mass707.26
IUPAC Name2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[7-[(E)-2-[2-[(Z)-prop-1-enyl]-1-benzofuran-3-yl]ethenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESC/C=C\c1oc2ccccc2c1/C=C/c1ccc2c(c1)oc1cccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccc(-c6ccccc6)cc5c4)n3)c12
InChIInChI=1S/C50H33N3O2/c1-2-12-43-40(39-17-9-10-19-44(39)54-43)27-21-32-22-28-41-46(29-32)55-45-20-11-18-42(47(41)45)50-52-48(35-15-7-4-8-16-35)51-49(53-50)37-26-24-34-23-25-36(30-38(34)31-37)33-13-5-3-6-14-33/h2-31H,1H3/b12-2-,27-21+
InChIKeyIBSLKKXMLIBRBJ-IYQSBRDFSA-N
XLogP13.54
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.83
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[7-[(E)-2-[2-[(Z)-prop-1-enyl]-1-benzofuran-3-yl]ethenyl]dibenzofuran-1-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 155049857
2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166742269
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166743599
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
2-dibenzofuran-1-yl-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174198496
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2-dibenzofuran-1-yl-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 162504507

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[7-[(E)-2-[2-[(Z)-prop-1-enyl]-1-benzofuran-3-yl]ethenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[7-[(E)-2-[2-[(Z)-prop-1-enyl]-1-benzofuran-3-yl]ethenyl]dibenzofuran-1-yl]-1,3,5-triazine (CID 170133595) is 2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[7-[(E)-2-[2-[(Z)-prop-1-enyl]-1-benzofuran-3-yl]ethenyl]dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[7-[(E)-2-[2-[(Z)-prop-1-enyl]-1-benzofuran-3-yl]ethenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[7-[(E)-2-[2-[(Z)-prop-1-enyl]-1-benzofuran-3-yl]ethenyl]dibenzofuran-1-yl]-1,3,5-triazine is C/C=C\c1oc2ccccc2c1/C=C/c1ccc2c(c1)oc1cccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccc(-c6ccccc6)cc5c4)n3)c12.
What is the InChIKey of 2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[7-[(E)-2-[2-[(Z)-prop-1-enyl]-1-benzofuran-3-yl]ethenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is IBSLKKXMLIBRBJ-IYQSBRDFSA-N. The full InChI is InChI=1S/C50H33N3O2/c1-2-12-43-40(39-17-9-10-19-44(39)54-43)27-21-32-22-28-41-46(29-32)55-45-20-11-18-42(47(41)45)50-52-48(35-15-7-4-8-16-35)51-49(53-50)37-26-24-34-23-25-36(30-38(34)31-37)33-13-5-3-6-14-33/h2-31H,1H3/b12-2-,27-21+.
What are the key properties of 2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[7-[(E)-2-[2-[(Z)-prop-1-enyl]-1-benzofuran-3-yl]ethenyl]dibenzofuran-1-yl]-1,3,5-triazine?
2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[7-[(E)-2-[2-[(Z)-prop-1-enyl]-1-benzofuran-3-yl]ethenyl]dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 707.83 g/mol, XLogP of 13.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[7-[(E)-2-[2-[(Z)-prop-1-enyl]-1-benzofuran-3-yl]ethenyl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 170133595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).