CID 155427862

C46H28S4 — CID 155427862

IUPAC—
SMILESc1ccc(-c2cc3c(s2)C2(c4ccccc4Sc4ccccc42)c2cc(-c4ccccc4)sc2C32c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C46H28S4/c1-3-15-29(16-4-1)41-27-35-43(49-41)46(33-21-9-13-25-39(33)48-40-26-14-10-22-34(40)46)36-28-42(30-17-5-2-6-18-30)50-44(36)45(35)31-19-7-11-23-37(31)47-38-24-12-8-20-32(38)45/h1-28H
InChIKeyJTKPUSUGCGCWIZ-UHFFFAOYSA-N
MW709.00 g/mol
LogP13.15
Rot. Bonds2

About CID 155427862

CID 155427862 (PubChem CID 155427862) has the molecular formula C46H28S4 and a molecular weight of 709.00 g/mol.

Molecular Properties

Compound NameCID 155427862
PubChem CID155427862
Molecular FormulaC46H28S4
Molecular Weight709.00 g/mol
Exact Mass708.11
IUPAC Name—
SMILESc1ccc(-c2cc3c(s2)C2(c4ccccc4Sc4ccccc42)c2cc(-c4ccccc4)sc2C32c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C46H28S4/c1-3-15-29(16-4-1)41-27-35-43(49-41)46(33-21-9-13-25-39(33)48-40-26-14-10-22-34(40)46)36-28-42(30-17-5-2-6-18-30)50-44(36)45(35)31-19-7-11-23-37(31)47-38-24-12-8-20-32(38)45/h1-28H
InChIKeyJTKPUSUGCGCWIZ-UHFFFAOYSA-N
XLogP13.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.00
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 155427874
CID 155427874
CID 155428012
CID 155428012
CID 155428013
CID 155428013
4',5'-diphenyl-9,9'-spirobi[thioxanthene]
CID 118698141
2,6-diphenyl-9,9'-spirobi[thioxanthene]
CID 118698152
2'-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-9,9-dimethylspiro[anthracene-10,9'-thioxanthene]
CID 166995957
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-[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
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476010
2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 146388529

Frequently Asked Questions

What is the IUPAC name of CID 155427862?
The IUPAC name of CID 155427862 (CID 155427862) is not available.
What is the SMILES notation for CID 155427862?
The canonical SMILES for CID 155427862 is c1ccc(-c2cc3c(s2)C2(c4ccccc4Sc4ccccc42)c2cc(-c4ccccc4)sc2C32c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of CID 155427862?
The InChIKey is JTKPUSUGCGCWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28S4/c1-3-15-29(16-4-1)41-27-35-43(49-41)46(33-21-9-13-25-39(33)48-40-26-14-10-22-34(40)46)36-28-42(30-17-5-2-6-18-30)50-44(36)45(35)31-19-7-11-23-37(31)47-38-24-12-8-20-32(38)45/h1-28H.
What are the key properties of CID 155427862?
CID 155427862 has a molecular weight of 709.00 g/mol, XLogP of 13.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155427862 is sourced from PubChem (CID 155427862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).