1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-3-ethenyl-2-[(E)-2-phenylprop-1-enyl]indole

C40H28N4O — CID 142377794

IUPAC1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-3-ethenyl-2-[(E)-2-phenylprop-1-enyl]indole
SMILESC=Cc1c(/C=C(\C)c2ccccc2)n(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccccc34)n2)c2ccccc12
InChIInChI=1S/C40H28N4O/c1-3-29-30-19-10-12-23-34(30)44(35(29)25-26(2)27-15-6-4-7-16-27)40-42-38(28-17-8-5-9-18-28)41-39(43-40)33-22-14-21-32-31-20-11-13-24-36(31)45-37(32)33/h3-25H,1H2,2H3/b26-25+
InChIKeyDYVZMODNWPVCRP-OCEACIFDSA-N
MW580.69 g/mol
LogP10.25
Rot. Bonds6

About 1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-3-ethenyl-2-[(E)-2-phenylprop-1-enyl]indole

1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-3-ethenyl-2-[(E)-2-phenylprop-1-enyl]indole (PubChem CID 142377794) has the molecular formula C40H28N4O and a molecular weight of 580.69 g/mol. Its IUPAC name is 1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-3-ethenyl-2-[(E)-2-phenylprop-1-enyl]indole.

Molecular Properties

Compound Name1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-3-ethenyl-2-[(E)-2-phenylprop-1-enyl]indole
PubChem CID142377794
Molecular FormulaC40H28N4O
Molecular Weight580.69 g/mol
Exact Mass580.23
IUPAC Name1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-3-ethenyl-2-[(E)-2-phenylprop-1-enyl]indole
SMILESC=Cc1c(/C=C(\C)c2ccccc2)n(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccccc34)n2)c2ccccc12
InChIInChI=1S/C40H28N4O/c1-3-29-30-19-10-12-23-34(30)44(35(29)25-26(2)27-15-6-4-7-16-27)40-42-38(28-17-8-5-9-18-28)41-39(43-40)33-22-14-21-32-31-20-11-13-24-36(31)45-37(32)33/h3-25H,1H2,2H3/b26-25+
InChIKeyDYVZMODNWPVCRP-OCEACIFDSA-N
XLogP10.25
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.69
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572704
11-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 118153977
14-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176837448
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166511989
5-[3-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014814
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
CID 142377722
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166915499
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999
5-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014926
9-[4-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358295
9-[4-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166875116
4-dibenzofuran-4-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491359

Frequently Asked Questions

What is the IUPAC name of 1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-3-ethenyl-2-[(E)-2-phenylprop-1-enyl]indole?
The IUPAC name of 1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-3-ethenyl-2-[(E)-2-phenylprop-1-enyl]indole (CID 142377794) is 1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-3-ethenyl-2-[(E)-2-phenylprop-1-enyl]indole.
What is the SMILES notation for 1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-3-ethenyl-2-[(E)-2-phenylprop-1-enyl]indole?
The canonical SMILES for 1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-3-ethenyl-2-[(E)-2-phenylprop-1-enyl]indole is C=Cc1c(/C=C(\C)c2ccccc2)n(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccccc34)n2)c2ccccc12.
What is the InChIKey of 1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-3-ethenyl-2-[(E)-2-phenylprop-1-enyl]indole?
The InChIKey is DYVZMODNWPVCRP-OCEACIFDSA-N. The full InChI is InChI=1S/C40H28N4O/c1-3-29-30-19-10-12-23-34(30)44(35(29)25-26(2)27-15-6-4-7-16-27)40-42-38(28-17-8-5-9-18-28)41-39(43-40)33-22-14-21-32-31-20-11-13-24-36(31)45-37(32)33/h3-25H,1H2,2H3/b26-25+.
What are the key properties of 1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-3-ethenyl-2-[(E)-2-phenylprop-1-enyl]indole?
1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-3-ethenyl-2-[(E)-2-phenylprop-1-enyl]indole has a molecular weight of 580.69 g/mol, XLogP of 10.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-3-ethenyl-2-[(E)-2-phenylprop-1-enyl]indole is sourced from PubChem (CID 142377794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).