4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindeno[1,2-e][1]benzofuran-6-yl]benzonitrile

C43H26N4O — CID 158353180

IUPAC4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindeno[1,2-e][1]benzofuran-6-yl]benzonitrile
SMILESN#Cc1ccc(C2(c3ccccc3)c3ccccc3-c3c2cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)c2occc32)cc1
InChIInChI=1S/C43H26N4O/c44-27-28-20-22-32(23-21-28)43(31-16-8-3-9-17-31)36-19-11-10-18-33(36)38-34-24-25-48-39(34)35(26-37(38)43)42-46-40(29-12-4-1-5-13-29)45-41(47-42)30-14-6-2-7-15-30/h1-26H
InChIKeyPPQPIUXWAOLOGH-UHFFFAOYSA-N
MW614.71 g/mol
LogP9.85
Rot. Bonds5

About 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindeno[1,2-e][1]benzofuran-6-yl]benzonitrile

4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindeno[1,2-e][1]benzofuran-6-yl]benzonitrile (PubChem CID 158353180) has the molecular formula C43H26N4O and a molecular weight of 614.71 g/mol. Its IUPAC name is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindeno[1,2-e][1]benzofuran-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindeno[1,2-e][1]benzofuran-6-yl]benzonitrile
PubChem CID158353180
Molecular FormulaC43H26N4O
Molecular Weight614.71 g/mol
Exact Mass614.21
IUPAC Name4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindeno[1,2-e][1]benzofuran-6-yl]benzonitrile
SMILESN#Cc1ccc(C2(c3ccccc3)c3ccccc3-c3c2cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)c2occc32)cc1
InChIInChI=1S/C43H26N4O/c44-27-28-20-22-32(23-21-28)43(31-16-8-3-9-17-31)36-19-11-10-18-33(36)38-34-24-25-48-39(34)35(26-37(38)43)42-46-40(29-12-4-1-5-13-29)45-41(47-42)30-14-6-2-7-15-30/h1-26H
InChIKeyPPQPIUXWAOLOGH-UHFFFAOYSA-N
XLogP9.85
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.71
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile
CID 159211457
4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]phenyl]benzonitrile
CID 137413695
4-[4-[4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 171588962
4-[9,9-diphenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]fluoren-2-yl]benzonitrile;4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-3-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-2-yl]benzonitrile
CID 159116328
4-[4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[benzo[c]fluorene-7,9'-xanthene]-5-yl]benzonitrile
CID 157175356
4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[benzo[c]fluorene-7,9'-xanthene]-4'-yl]benzonitrile
CID 161128839
4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-3-yl]benzonitrile
CID 146367825
4-[2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]benzonitrile
CID 155767757
3-(11,11-diphenylbenzo[a]fluoren-6-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 165152126
4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile
CID 157459321
4-[4-[3-[3-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 163736945
4-[4-[4-(9,9-diphenylxanthen-4-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 166031308

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindeno[1,2-e][1]benzofuran-6-yl]benzonitrile?
The IUPAC name of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindeno[1,2-e][1]benzofuran-6-yl]benzonitrile (CID 158353180) is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindeno[1,2-e][1]benzofuran-6-yl]benzonitrile.
What is the SMILES notation for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindeno[1,2-e][1]benzofuran-6-yl]benzonitrile?
The canonical SMILES for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindeno[1,2-e][1]benzofuran-6-yl]benzonitrile is N#Cc1ccc(C2(c3ccccc3)c3ccccc3-c3c2cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)c2occc32)cc1.
What is the InChIKey of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindeno[1,2-e][1]benzofuran-6-yl]benzonitrile?
The InChIKey is PPQPIUXWAOLOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O/c44-27-28-20-22-32(23-21-28)43(31-16-8-3-9-17-31)36-19-11-10-18-33(36)38-34-24-25-48-39(34)35(26-37(38)43)42-46-40(29-12-4-1-5-13-29)45-41(47-42)30-14-6-2-7-15-30/h1-26H.
What are the key properties of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindeno[1,2-e][1]benzofuran-6-yl]benzonitrile?
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindeno[1,2-e][1]benzofuran-6-yl]benzonitrile has a molecular weight of 614.71 g/mol, XLogP of 9.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindeno[1,2-e][1]benzofuran-6-yl]benzonitrile is sourced from PubChem (CID 158353180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).