7-(2-diphenylphosphoryl-[1]benzothiolo[2,3-b][1]benzofuran-9-yl)-1-pyridin-4-ylbenzimidazole

C38H24N3O2PS — CID 145151492

IUPAC7-(2-diphenylphosphoryl-[1]benzothiolo[2,3-b][1]benzofuran-9-yl)-1-pyridin-4-ylbenzimidazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2oc3sc4ccc(-c5cccc6ncn(-c7ccncc7)c56)cc4c3c2c1
InChIInChI=1S/C38H24N3O2PS/c42-44(27-8-3-1-4-9-27,28-10-5-2-6-11-28)29-15-16-34-31(23-29)36-32-22-25(14-17-35(32)45-38(36)43-34)30-12-7-13-33-37(30)41(24-40-33)26-18-20-39-21-19-26/h1-24H
InChIKeyVMHRUYZGDUPMJY-UHFFFAOYSA-N
MW617.67 g/mol
LogP8.84
Rot. Bonds5

About 7-(2-diphenylphosphoryl-[1]benzothiolo[2,3-b][1]benzofuran-9-yl)-1-pyridin-4-ylbenzimidazole

7-(2-diphenylphosphoryl-[1]benzothiolo[2,3-b][1]benzofuran-9-yl)-1-pyridin-4-ylbenzimidazole (PubChem CID 145151492) has the molecular formula C38H24N3O2PS and a molecular weight of 617.67 g/mol. Its IUPAC name is 7-(2-diphenylphosphoryl-[1]benzothiolo[2,3-b][1]benzofuran-9-yl)-1-pyridin-4-ylbenzimidazole.

Molecular Properties

Compound Name7-(2-diphenylphosphoryl-[1]benzothiolo[2,3-b][1]benzofuran-9-yl)-1-pyridin-4-ylbenzimidazole
PubChem CID145151492
Molecular FormulaC38H24N3O2PS
Molecular Weight617.67 g/mol
Exact Mass617.13
IUPAC Name7-(2-diphenylphosphoryl-[1]benzothiolo[2,3-b][1]benzofuran-9-yl)-1-pyridin-4-ylbenzimidazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2oc3sc4ccc(-c5cccc6ncn(-c7ccncc7)c56)cc4c3c2c1
InChIInChI=1S/C38H24N3O2PS/c42-44(27-8-3-1-4-9-27,28-10-5-2-6-11-28)29-15-16-34-31(23-29)36-32-22-25(14-17-35(32)45-38(36)43-34)30-12-7-13-33-37(30)41(24-40-33)26-18-20-39-21-19-26/h1-24H
InChIKeyVMHRUYZGDUPMJY-UHFFFAOYSA-N
XLogP8.84
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.67
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-(2-diphenylphosphoryl-[1]benzothiolo[2,3-b][1]benzofuran-9-yl)-1-pyridin-4-ylbenzimidazole 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-[2-[6-[4-(2,3,4,5,6-Pentafluorophenyl)-6-[6-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]isoindole
CID 155096654
6-Dibenzothiophen-2-yl-3-isocyano-1,9-diphenylcarbazole;3,9-di(dibenzofuran-2-yl)-6-isocyanocarbazole;3-isocyano-6-(1-phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]-3-pyridinyl]carbazole
CID 160492128
[18-(8-Fluorodibenzofuran-3-yl)-3-methylidene-11-(2-phenylphenyl)-15-thia-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane
CID 174080194
1-Dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzofuran-4-yl]benzimidazole
CID 156657230
1-Dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzofuran-4-yl)benzimidazole
CID 156657803
2-[7-(8-Fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole
CID 156660111
8-(1-Dibenzothiophen-2-ylbenzimidazol-2-yl)-3-(3,5-difluorophenyl)-[1]benzofuro[2,3-b]pyridine
CID 156669067
9-[8-[3-(3-Dibenzofuran-2-ylphenyl)phenyl]dibenzothiophen-2-yl]pyrido[3,4-b]indole
CID 57544060
8-(3-Dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544260
4-[3-[8-[3-[4,6-Bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 57958245
8-[3-[8-[6-Dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58058980
3-[3-[3-[8-Dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole
CID 58059158

Frequently Asked Questions

What is the IUPAC name of 7-(2-diphenylphosphoryl-[1]benzothiolo[2,3-b][1]benzofuran-9-yl)-1-pyridin-4-ylbenzimidazole?
The IUPAC name of 7-(2-diphenylphosphoryl-[1]benzothiolo[2,3-b][1]benzofuran-9-yl)-1-pyridin-4-ylbenzimidazole (CID 145151492) is 7-(2-diphenylphosphoryl-[1]benzothiolo[2,3-b][1]benzofuran-9-yl)-1-pyridin-4-ylbenzimidazole.
What is the SMILES notation for 7-(2-diphenylphosphoryl-[1]benzothiolo[2,3-b][1]benzofuran-9-yl)-1-pyridin-4-ylbenzimidazole?
The canonical SMILES for 7-(2-diphenylphosphoryl-[1]benzothiolo[2,3-b][1]benzofuran-9-yl)-1-pyridin-4-ylbenzimidazole is O=P(c1ccccc1)(c1ccccc1)c1ccc2oc3sc4ccc(-c5cccc6ncn(-c7ccncc7)c56)cc4c3c2c1.
What is the InChIKey of 7-(2-diphenylphosphoryl-[1]benzothiolo[2,3-b][1]benzofuran-9-yl)-1-pyridin-4-ylbenzimidazole?
The InChIKey is VMHRUYZGDUPMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N3O2PS/c42-44(27-8-3-1-4-9-27,28-10-5-2-6-11-28)29-15-16-34-31(23-29)36-32-22-25(14-17-35(32)45-38(36)43-34)30-12-7-13-33-37(30)41(24-40-33)26-18-20-39-21-19-26/h1-24H.
What are the key properties of 7-(2-diphenylphosphoryl-[1]benzothiolo[2,3-b][1]benzofuran-9-yl)-1-pyridin-4-ylbenzimidazole?
7-(2-diphenylphosphoryl-[1]benzothiolo[2,3-b][1]benzofuran-9-yl)-1-pyridin-4-ylbenzimidazole has a molecular weight of 617.67 g/mol, XLogP of 8.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-diphenylphosphoryl-[1]benzothiolo[2,3-b][1]benzofuran-9-yl)-1-pyridin-4-ylbenzimidazole is sourced from PubChem (CID 145151492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).