[3-(methylideneamino)-1-benzothiophen-2-yl]-phenylmethanimine;2-[9-(3-methylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine

C50H35N5S2 — CID 142519368

IUPAC[3-(methylideneamino)-1-benzothiophen-2-yl]-phenylmethanimine;2-[9-(3-methylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cccc(-c2cccc3sc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c23)c1.[H]/N=C(\c1ccccc1)c1sc2ccccc2c1N=C
InChIInChI=1S/C34H23N3S.C16H12N2S/c1-22-11-8-16-25(21-22)26-17-9-19-28-30(26)31-27(18-10-20-29(31)38-28)34-36-32(23-12-4-2-5-13-23)35-33(37-34)24-14-6-3-7-15-24;1-18-15-12-9-5-6-10-13(12)19-16(15)14(17)11-7-3-2-4-8-11/h2-21H,1H3;2-10,17H,1H2/b;17-14+
InChIKeySEHPQRDNPUAAEJ-YYKKGMDMSA-N
MW770.00 g/mol
LogP13.87
Rot. Bonds7

About [3-(methylideneamino)-1-benzothiophen-2-yl]-phenylmethanimine;2-[9-(3-methylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine

[3-(methylideneamino)-1-benzothiophen-2-yl]-phenylmethanimine;2-[9-(3-methylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 142519368) has the molecular formula C50H35N5S2 and a molecular weight of 770.00 g/mol. Its IUPAC name is [3-(methylideneamino)-1-benzothiophen-2-yl]-phenylmethanimine;2-[9-(3-methylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name[3-(methylideneamino)-1-benzothiophen-2-yl]-phenylmethanimine;2-[9-(3-methylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID142519368
Molecular FormulaC50H35N5S2
Molecular Weight770.00 g/mol
Exact Mass769.23
IUPAC Name[3-(methylideneamino)-1-benzothiophen-2-yl]-phenylmethanimine;2-[9-(3-methylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cccc(-c2cccc3sc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c23)c1.[H]/N=C(\c1ccccc1)c1sc2ccccc2c1N=C
InChIInChI=1S/C34H23N3S.C16H12N2S/c1-22-11-8-16-25(21-22)26-17-9-19-28-30(26)31-27(18-10-20-29(31)38-28)34-36-32(23-12-4-2-5-13-23)35-33(37-34)24-14-6-3-7-15-24;1-18-15-12-9-5-6-10-13(12)19-16(15)14(17)11-7-3-2-4-8-11/h2-21H,1H3;2-10,17H,1H2/b;17-14+
InChIKeySEHPQRDNPUAAEJ-YYKKGMDMSA-N
XLogP13.87
TPSA74.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.00
LogP ≤ 513.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [3-(methylideneamino)-1-benzothiophen-2-yl]-phenylmethanimine;2-[9-(3-methylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzenecarboximidoyl)-1-benzothiophen-3-amine;2-dibenzothiophen-1-yl-4-(9-methyldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine
CID 142519445
2-(benzenecarboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 142519454
(3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine
CID 142319431
2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948
2,4-bis(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 139304432
2-(3-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 169291118
2-dibenzothiophen-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050063
2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946773
2-dibenzothiophen-1-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 139305007
2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine
CID 177292330
2-(dibenzofuran-2-carboximidoyl)-1-benzofuran-3-amine;2-(8-methyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 142519385
2-(3-dibenzothiophen-4-ylphenyl)-4-[4-(3-methylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170201940

Frequently Asked Questions

What is the IUPAC name of [3-(methylideneamino)-1-benzothiophen-2-yl]-phenylmethanimine;2-[9-(3-methylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of [3-(methylideneamino)-1-benzothiophen-2-yl]-phenylmethanimine;2-[9-(3-methylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 142519368) is [3-(methylideneamino)-1-benzothiophen-2-yl]-phenylmethanimine;2-[9-(3-methylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for [3-(methylideneamino)-1-benzothiophen-2-yl]-phenylmethanimine;2-[9-(3-methylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for [3-(methylideneamino)-1-benzothiophen-2-yl]-phenylmethanimine;2-[9-(3-methylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine is Cc1cccc(-c2cccc3sc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c23)c1.[H]/N=C(\c1ccccc1)c1sc2ccccc2c1N=C.
What is the InChIKey of [3-(methylideneamino)-1-benzothiophen-2-yl]-phenylmethanimine;2-[9-(3-methylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is SEHPQRDNPUAAEJ-YYKKGMDMSA-N. The full InChI is InChI=1S/C34H23N3S.C16H12N2S/c1-22-11-8-16-25(21-22)26-17-9-19-28-30(26)31-27(18-10-20-29(31)38-28)34-36-32(23-12-4-2-5-13-23)35-33(37-34)24-14-6-3-7-15-24;1-18-15-12-9-5-6-10-13(12)19-16(15)14(17)11-7-3-2-4-8-11/h2-21H,1H3;2-10,17H,1H2/b;17-14+.
What are the key properties of [3-(methylideneamino)-1-benzothiophen-2-yl]-phenylmethanimine;2-[9-(3-methylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine?
[3-(methylideneamino)-1-benzothiophen-2-yl]-phenylmethanimine;2-[9-(3-methylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 770.00 g/mol, XLogP of 13.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylideneamino)-1-benzothiophen-2-yl]-phenylmethanimine;2-[9-(3-methylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 142519368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).