(2E)-2-[(Z)-but-2-enylidene]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylideneindole

C61H41N7O — CID 155039379

IUPAC(2E)-2-[(Z)-but-2-enylidene]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylideneindole
SMILESC=c1/c(=C\C=C/C)n(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)cc12
InChIInChI=1S/C61H41N7O/c1-3-4-27-51-39(2)49-37-45(31-35-52(49)68(51)47-33-29-44(30-34-47)60-63-56(40-18-9-5-10-19-40)62-57(64-60)41-20-11-6-12-21-41)46-32-36-53-50(38-46)55-48(26-17-28-54(55)69-53)61-66-58(42-22-13-7-14-23-42)65-59(67-61)43-24-15-8-16-25-43/h3-38H,2H2,1H3/b4-3-,51-27+
InChIKeyUTNXSEMMBNTNKU-XCTYFUJUSA-N
MW888.05 g/mol
LogP13.34
Rot. Bonds9

About (2E)-2-[(Z)-but-2-enylidene]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylideneindole

(2E)-2-[(Z)-but-2-enylidene]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylideneindole (PubChem CID 155039379) has the molecular formula C61H41N7O and a molecular weight of 888.05 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-enylidene]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylideneindole.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-enylidene]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylideneindole
PubChem CID155039379
Molecular FormulaC61H41N7O
Molecular Weight888.05 g/mol
Exact Mass887.34
IUPAC Name(2E)-2-[(Z)-but-2-enylidene]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylideneindole
SMILESC=c1/c(=C\C=C/C)n(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)cc12
InChIInChI=1S/C61H41N7O/c1-3-4-27-51-39(2)49-37-45(31-35-52(49)68(51)47-33-29-44(30-34-47)60-63-56(40-18-9-5-10-19-40)62-57(64-60)41-20-11-6-12-21-41)46-32-36-53-50(38-46)55-48(26-17-28-54(55)69-53)61-66-58(42-22-13-7-14-23-42)65-59(67-61)43-24-15-8-16-25-43/h3-38H,2H2,1H3/b4-3-,51-27+
InChIKeyUTNXSEMMBNTNKU-XCTYFUJUSA-N
XLogP13.34
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.05
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2E)-2-[(Z)-but-2-enylidene]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylideneindole with MolForge

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Related Compounds

3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
3-[2-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602257
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-triphenylen-1-ylcarbazole
CID 154602338
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole
CID 154602051
3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 165008539
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)-6-[8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377446
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)carbazole
CID 154602166
5-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylbenzo[b]carbazole
CID 146491280
3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 129292083

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylideneindole?
The IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylideneindole (CID 155039379) is (2E)-2-[(Z)-but-2-enylidene]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylideneindole.
What is the SMILES notation for (2E)-2-[(Z)-but-2-enylidene]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylideneindole?
The canonical SMILES for (2E)-2-[(Z)-but-2-enylidene]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylideneindole is C=c1/c(=C\C=C/C)n(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)cc12.
What is the InChIKey of (2E)-2-[(Z)-but-2-enylidene]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylideneindole?
The InChIKey is UTNXSEMMBNTNKU-XCTYFUJUSA-N. The full InChI is InChI=1S/C61H41N7O/c1-3-4-27-51-39(2)49-37-45(31-35-52(49)68(51)47-33-29-44(30-34-47)60-63-56(40-18-9-5-10-19-40)62-57(64-60)41-20-11-6-12-21-41)46-32-36-53-50(38-46)55-48(26-17-28-54(55)69-53)61-66-58(42-22-13-7-14-23-42)65-59(67-61)43-24-15-8-16-25-43/h3-38H,2H2,1H3/b4-3-,51-27+.
What are the key properties of (2E)-2-[(Z)-but-2-enylidene]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylideneindole?
(2E)-2-[(Z)-but-2-enylidene]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylideneindole has a molecular weight of 888.05 g/mol, XLogP of 13.34, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-enylidene]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylideneindole is sourced from PubChem (CID 155039379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).