1-[3-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)-2-phenylindol-3-yl]-2-phenylindol-1-yl]-[1]benzothiolo[2,3-c]pyridine

C50H30N4S2 — CID 129085626

IUPAC1-[3-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)-2-phenylindol-3-yl]-2-phenylindol-1-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2c(-c3c(-c4ccccc4)n(-c4nccc5c4sc4ccccc45)c4ccccc34)c3ccccc3n2-c2nccc3c2sc2ccccc23)cc1
InChIInChI=1S/C50H30N4S2/c1-3-15-31(16-4-1)45-43(37-21-7-11-23-39(37)53(45)49-47-35(27-29-51-49)33-19-9-13-25-41(33)55-47)44-38-22-8-12-24-40(38)54(46(44)32-17-5-2-6-18-32)50-48-36(28-30-52-50)34-20-10-14-26-42(34)56-48/h1-30H
InChIKeyOBKXZFMEPPKQQV-UHFFFAOYSA-N
MW750.95 g/mol
LogP14.10
Rot. Bonds5

About 1-[3-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)-2-phenylindol-3-yl]-2-phenylindol-1-yl]-[1]benzothiolo[2,3-c]pyridine

1-[3-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)-2-phenylindol-3-yl]-2-phenylindol-1-yl]-[1]benzothiolo[2,3-c]pyridine (PubChem CID 129085626) has the molecular formula C50H30N4S2 and a molecular weight of 750.95 g/mol. Its IUPAC name is 1-[3-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)-2-phenylindol-3-yl]-2-phenylindol-1-yl]-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-[3-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)-2-phenylindol-3-yl]-2-phenylindol-1-yl]-[1]benzothiolo[2,3-c]pyridine
PubChem CID129085626
Molecular FormulaC50H30N4S2
Molecular Weight750.95 g/mol
Exact Mass750.19
IUPAC Name1-[3-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)-2-phenylindol-3-yl]-2-phenylindol-1-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2c(-c3c(-c4ccccc4)n(-c4nccc5c4sc4ccccc45)c4ccccc34)c3ccccc3n2-c2nccc3c2sc2ccccc23)cc1
InChIInChI=1S/C50H30N4S2/c1-3-15-31(16-4-1)45-43(37-21-7-11-23-39(37)53(45)49-47-35(27-29-51-49)33-19-9-13-25-41(33)55-47)44-38-22-8-12-24-40(38)54(46(44)32-17-5-2-6-18-32)50-48-36(28-30-52-50)34-20-10-14-26-42(34)56-48/h1-30H
InChIKeyOBKXZFMEPPKQQV-UHFFFAOYSA-N
XLogP14.10
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.95
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)-2-phenylindol-3-yl]-2-phenylindol-1-yl]-[1]benzothiolo[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)-2-phenylindol-3-yl]-2-phenylindol-1-yl]-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 1-[3-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)-2-phenylindol-3-yl]-2-phenylindol-1-yl]-[1]benzothiolo[2,3-c]pyridine (CID 129085626) is 1-[3-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)-2-phenylindol-3-yl]-2-phenylindol-1-yl]-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 1-[3-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)-2-phenylindol-3-yl]-2-phenylindol-1-yl]-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 1-[3-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)-2-phenylindol-3-yl]-2-phenylindol-1-yl]-[1]benzothiolo[2,3-c]pyridine is c1ccc(-c2c(-c3c(-c4ccccc4)n(-c4nccc5c4sc4ccccc45)c4ccccc34)c3ccccc3n2-c2nccc3c2sc2ccccc23)cc1.
What is the InChIKey of 1-[3-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)-2-phenylindol-3-yl]-2-phenylindol-1-yl]-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is OBKXZFMEPPKQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4S2/c1-3-15-31(16-4-1)45-43(37-21-7-11-23-39(37)53(45)49-47-35(27-29-51-49)33-19-9-13-25-41(33)55-47)44-38-22-8-12-24-40(38)54(46(44)32-17-5-2-6-18-32)50-48-36(28-30-52-50)34-20-10-14-26-42(34)56-48/h1-30H.
What are the key properties of 1-[3-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)-2-phenylindol-3-yl]-2-phenylindol-1-yl]-[1]benzothiolo[2,3-c]pyridine?
1-[3-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)-2-phenylindol-3-yl]-2-phenylindol-1-yl]-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 750.95 g/mol, XLogP of 14.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)-2-phenylindol-3-yl]-2-phenylindol-1-yl]-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 129085626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).