2-(dibenzofuran-2-carboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine

C49H33N5O2S — CID 142519385

IUPAC2-(dibenzofuran-2-carboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc2sc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2c1.[H]/N=C(\c1ccc2oc3ccccc3c2c1)c1oc2ccccc2c1N
InChIInChI=1S/C28H19N3S.C21H14N2O2/c1-18-15-16-23-22(17-18)25-21(13-8-14-24(25)32-23)28-30-26(19-9-4-2-5-10-19)29-27(31-28)20-11-6-3-7-12-20;22-19(21-20(23)14-6-2-4-8-17(14)25-21)12-9-10-18-15(11-12)13-5-1-3-7-16(13)24-18/h2-17H,1H3;1-11,22H,23H2/b;22-19+
InChIKeyQZIBNDMKPTZBIK-DYLLGPEASA-N
MW755.90 g/mol
LogP12.88
Rot. Bonds5

About 2-(dibenzofuran-2-carboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine

2-(dibenzofuran-2-carboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 142519385) has the molecular formula C49H33N5O2S and a molecular weight of 755.90 g/mol. Its IUPAC name is 2-(dibenzofuran-2-carboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(dibenzofuran-2-carboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID142519385
Molecular FormulaC49H33N5O2S
Molecular Weight755.90 g/mol
Exact Mass755.24
IUPAC Name2-(dibenzofuran-2-carboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc2sc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2c1.[H]/N=C(\c1ccc2oc3ccccc3c2c1)c1oc2ccccc2c1N
InChIInChI=1S/C28H19N3S.C21H14N2O2/c1-18-15-16-23-22(17-18)25-21(13-8-14-24(25)32-23)28-30-26(19-9-4-2-5-10-19)29-27(31-28)20-11-6-3-7-12-20;22-19(21-20(23)14-6-2-4-8-17(14)25-21)12-9-10-18-15(11-12)13-5-1-3-7-16(13)24-18/h2-17H,1H3;1-11,22H,23H2/b;22-19+
InChIKeyQZIBNDMKPTZBIK-DYLLGPEASA-N
XLogP12.88
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.90
LogP ≤ 512.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(benzenecarboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 142519454
2-(9,9-dimethylfluorene-2-carboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene
CID 142519266
2-(benzenecarboximidoyl)-1-benzofuran-3-amine;2-dibenzofuran-4-yl-4-(9-methyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 142519269
2-(8-dibenzofuran-3-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 169059388
2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 155471007
2-dibenzofuran-4-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050381
2-dibenzofuran-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazine
CID 155050287
2-dibenzofuran-1-yl-4-phenyl-6-[8-[2-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946542
2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 142519420
2-(benzenecarboximidoyl)-1-benzothiophen-3-amine;2-dibenzothiophen-1-yl-4-(9-methyldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine
CID 142519445
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 162780117
2-dibenzofuran-1-yl-4-phenyl-6-[5-(8-phenyldibenzothiophen-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731840

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzofuran-2-carboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(dibenzofuran-2-carboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine (CID 142519385) is 2-(dibenzofuran-2-carboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(dibenzofuran-2-carboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(dibenzofuran-2-carboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine is Cc1ccc2sc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2c1.[H]/N=C(\c1ccc2oc3ccccc3c2c1)c1oc2ccccc2c1N.
What is the InChIKey of 2-(dibenzofuran-2-carboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is QZIBNDMKPTZBIK-DYLLGPEASA-N. The full InChI is InChI=1S/C28H19N3S.C21H14N2O2/c1-18-15-16-23-22(17-18)25-21(13-8-14-24(25)32-23)28-30-26(19-9-4-2-5-10-19)29-27(31-28)20-11-6-3-7-12-20;22-19(21-20(23)14-6-2-4-8-17(14)25-21)12-9-10-18-15(11-12)13-5-1-3-7-16(13)24-18/h2-17H,1H3;1-11,22H,23H2/b;22-19+.
What are the key properties of 2-(dibenzofuran-2-carboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine?
2-(dibenzofuran-2-carboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 755.90 g/mol, XLogP of 12.88, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzofuran-2-carboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 142519385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).