(2E,3Z)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-methyldibenzofuran-2-yl]-2,3-di(ethylidene)-1-phenylindole

C46H34N4O — CID 156706562

IUPAC(2E,3Z)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-methyldibenzofuran-2-yl]-2,3-di(ethylidene)-1-phenylindole
SMILESC/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3ccc4oc5cc(C)cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)cc12
InChIInChI=1S/C46H34N4O/c1-4-35-36-27-32(21-23-40(36)50(39(35)5-2)34-19-13-8-14-20-34)33-22-24-41-37(28-33)43-38(25-29(3)26-42(43)51-41)46-48-44(30-15-9-6-10-16-30)47-45(49-46)31-17-11-7-12-18-31/h4-28H,1-3H3/b35-4-,39-5+
InChIKeyUEEJKABQJVQWQH-VDUQPDMNSA-N
MW658.81 g/mol
LogP10.29
Rot. Bonds5

About (2E,3Z)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-methyldibenzofuran-2-yl]-2,3-di(ethylidene)-1-phenylindole

(2E,3Z)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-methyldibenzofuran-2-yl]-2,3-di(ethylidene)-1-phenylindole (PubChem CID 156706562) has the molecular formula C46H34N4O and a molecular weight of 658.81 g/mol. Its IUPAC name is (2E,3Z)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-methyldibenzofuran-2-yl]-2,3-di(ethylidene)-1-phenylindole.

Molecular Properties

Compound Name(2E,3Z)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-methyldibenzofuran-2-yl]-2,3-di(ethylidene)-1-phenylindole
PubChem CID156706562
Molecular FormulaC46H34N4O
Molecular Weight658.81 g/mol
Exact Mass658.27
IUPAC Name(2E,3Z)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-methyldibenzofuran-2-yl]-2,3-di(ethylidene)-1-phenylindole
SMILESC/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3ccc4oc5cc(C)cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)cc12
InChIInChI=1S/C46H34N4O/c1-4-35-36-27-32(21-23-40(36)50(39(35)5-2)34-19-13-8-14-20-34)33-22-24-41-37(28-33)43-38(25-29(3)26-42(43)51-41)46-48-44(30-15-9-6-10-16-30)47-45(49-46)31-17-11-7-12-18-31/h4-28H,1-3H3/b35-4-,39-5+
InChIKeyUEEJKABQJVQWQH-VDUQPDMNSA-N
XLogP10.29
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.81
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyldibenzofuran-2-yl]-9-phenylcarbazole
CID 129291963
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 129292083
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-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-[(2E,3Z)-3-ethylidene-1-phenyl-2-prop-2-ynylideneindol-5-yl]carbazole
CID 129190256
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-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
(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
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
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(1-phenylbenzimidazol-2-yl)carbazole
CID 129292117

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-methyldibenzofuran-2-yl]-2,3-di(ethylidene)-1-phenylindole?
The IUPAC name of (2E,3Z)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-methyldibenzofuran-2-yl]-2,3-di(ethylidene)-1-phenylindole (CID 156706562) is (2E,3Z)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-methyldibenzofuran-2-yl]-2,3-di(ethylidene)-1-phenylindole.
What is the SMILES notation for (2E,3Z)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-methyldibenzofuran-2-yl]-2,3-di(ethylidene)-1-phenylindole?
The canonical SMILES for (2E,3Z)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-methyldibenzofuran-2-yl]-2,3-di(ethylidene)-1-phenylindole is C/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3ccc4oc5cc(C)cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)cc12.
What is the InChIKey of (2E,3Z)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-methyldibenzofuran-2-yl]-2,3-di(ethylidene)-1-phenylindole?
The InChIKey is UEEJKABQJVQWQH-VDUQPDMNSA-N. The full InChI is InChI=1S/C46H34N4O/c1-4-35-36-27-32(21-23-40(36)50(39(35)5-2)34-19-13-8-14-20-34)33-22-24-41-37(28-33)43-38(25-29(3)26-42(43)51-41)46-48-44(30-15-9-6-10-16-30)47-45(49-46)31-17-11-7-12-18-31/h4-28H,1-3H3/b35-4-,39-5+.
What are the key properties of (2E,3Z)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-methyldibenzofuran-2-yl]-2,3-di(ethylidene)-1-phenylindole?
(2E,3Z)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-methyldibenzofuran-2-yl]-2,3-di(ethylidene)-1-phenylindole has a molecular weight of 658.81 g/mol, XLogP of 10.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-methyldibenzofuran-2-yl]-2,3-di(ethylidene)-1-phenylindole is sourced from PubChem (CID 156706562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).