CID 155427874

C58H36S4 — CID 155427874

IUPAC—
SMILESc1ccc(-c2cccc(-c3cc4c(s3)C3(c5ccccc5Sc5ccccc53)c3cc(-c5cccc(-c6ccccc6)c5)sc3C43c4ccccc4Sc4ccccc43)c2)cc1
InChIInChI=1S/C58H36S4/c1-3-17-37(18-4-1)39-21-15-23-41(33-39)53-35-47-55(61-53)58(45-27-9-13-31-51(45)60-52-32-14-10-28-46(52)58)48-36-54(42-24-16-22-40(34-42)38-19-5-2-6-20-38)62-56(48)57(47)43-25-7-11-29-49(43)59-50-30-12-8-26-44(50)57/h1-36H
InChIKeyNVPBFLUYVBGIRA-UHFFFAOYSA-N
MW861.19 g/mol
LogP16.49
Rot. Bonds4

About CID 155427874

CID 155427874 (PubChem CID 155427874) has the molecular formula C58H36S4 and a molecular weight of 861.19 g/mol.

Molecular Properties

Compound NameCID 155427874
PubChem CID155427874
Molecular FormulaC58H36S4
Molecular Weight861.19 g/mol
Exact Mass860.17
IUPAC Name—
SMILESc1ccc(-c2cccc(-c3cc4c(s3)C3(c5ccccc5Sc5ccccc53)c3cc(-c5cccc(-c6ccccc6)c5)sc3C43c4ccccc4Sc4ccccc43)c2)cc1
InChIInChI=1S/C58H36S4/c1-3-17-37(18-4-1)39-21-15-23-41(33-39)53-35-47-55(61-53)58(45-27-9-13-31-51(45)60-52-32-14-10-28-46(52)58)48-36-54(42-24-16-22-40(34-42)38-19-5-2-6-20-38)62-56(48)57(47)43-25-7-11-29-49(43)59-50-30-12-8-26-44(50)57/h1-36H
InChIKeyNVPBFLUYVBGIRA-UHFFFAOYSA-N
XLogP16.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.19
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 155427862
CID 155427862
CID 155428012
CID 155428012
2'-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-9,9-dimethylspiro[anthracene-10,9'-thioxanthene]
CID 166995957
CID 155428013
CID 155428013
2,6-diphenyl-9,9'-spirobi[thioxanthene]
CID 118698152
2-[3-[3-[9-[3-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]thioxanthen-9-yl]phenyl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine
CID 88886322
3-[3-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)phenyl]pyridine
CID 118698507
1',7'-diphenyl-9,9'-spirobi[thioxanthene];1',8'-diphenyl-9,9'-spirobi[thioxanthene]
CID 159876269
3,3',6,6'-tetraphenyl-9,9'-spirobi[thioxanthene]
CID 118698488
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-thioxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 166738043
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine
CID 155767852
CID 155427841
CID 155427841

Frequently Asked Questions

What is the IUPAC name of CID 155427874?
The IUPAC name of CID 155427874 (CID 155427874) is not available.
What is the SMILES notation for CID 155427874?
The canonical SMILES for CID 155427874 is c1ccc(-c2cccc(-c3cc4c(s3)C3(c5ccccc5Sc5ccccc53)c3cc(-c5cccc(-c6ccccc6)c5)sc3C43c4ccccc4Sc4ccccc43)c2)cc1.
What is the InChIKey of CID 155427874?
The InChIKey is NVPBFLUYVBGIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36S4/c1-3-17-37(18-4-1)39-21-15-23-41(33-39)53-35-47-55(61-53)58(45-27-9-13-31-51(45)60-52-32-14-10-28-46(52)58)48-36-54(42-24-16-22-40(34-42)38-19-5-2-6-20-38)62-56(48)57(47)43-25-7-11-29-49(43)59-50-30-12-8-26-44(50)57/h1-36H.
What are the key properties of CID 155427874?
CID 155427874 has a molecular weight of 861.19 g/mol, XLogP of 16.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155427874 is sourced from PubChem (CID 155427874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).