CID 101264083

C38H24S2 — CID 101264083

IUPAC—
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccccc2C12c1ccccc1Sc1ccccc12
InChIInChI=1S/C38H24S2/c1-3-15-27-25(13-1)26-14-2-4-16-28(26)38(31-19-7-11-23-35(31)40-36-24-12-8-20-32(36)38)37(27)29-17-5-9-21-33(29)39-34-22-10-6-18-30(34)37/h1-24H
InChIKeyFDWOMFXDWWUKHP-UHFFFAOYSA-N
MW544.74 g/mol
LogP9.97
Rot. Bonds

About CID 101264083

CID 101264083 (PubChem CID 101264083) has the molecular formula C38H24S2 and a molecular weight of 544.74 g/mol.

Molecular Properties

Compound NameCID 101264083
PubChem CID101264083
Molecular FormulaC38H24S2
Molecular Weight544.74 g/mol
Exact Mass544.13
IUPAC Name—
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccccc2C12c1ccccc1Sc1ccccc12
InChIInChI=1S/C38H24S2/c1-3-15-27-25(13-1)26-14-2-4-16-28(26)38(31-19-7-11-23-35(31)40-36-24-12-8-20-32(36)38)37(27)29-17-5-9-21-33(29)39-34-22-10-6-18-30(34)37/h1-24H
InChIKeyFDWOMFXDWWUKHP-UHFFFAOYSA-N
XLogP9.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.74
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene]
CID 159396129
9-[2-(4-chloronaphthalen-1-yl)phenyl]thioxanthen-9-ol
CID 147654542
1'-bromospiro[fluorene-9,9'-thioxanthene]
CID 175709351
nonacyclo[12.12.9.127,31.01,14.02,7.08,13.015,20.021,26.035,36]hexatriaconta-2,4,6,8,10,12,15,17,19,21,23,25,27,29,31(36),32,34-heptadecaene
CID 101134797
spiro[1,3-dithiolane-2,9'-thioxanthene]
CID 11066133
10,10-dimethyl-14,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 145441815
9-(9-cyanothioxanthen-9-yl)thioxanthene-9-carbonitrile
CID 57262147
4',5'-diphenyl-9,9'-spirobi[thioxanthene]
CID 118698141
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476029
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476081
CID 160621349
CID 160621349
N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138477907

Frequently Asked Questions

What is the IUPAC name of CID 101264083?
The IUPAC name of CID 101264083 (CID 101264083) is not available.
What is the SMILES notation for CID 101264083?
The canonical SMILES for CID 101264083 is c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccccc2C12c1ccccc1Sc1ccccc12.
What is the InChIKey of CID 101264083?
The InChIKey is FDWOMFXDWWUKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24S2/c1-3-15-27-25(13-1)26-14-2-4-16-28(26)38(31-19-7-11-23-35(31)40-36-24-12-8-20-32(36)38)37(27)29-17-5-9-21-33(29)39-34-22-10-6-18-30(34)37/h1-24H.
What are the key properties of CID 101264083?
CID 101264083 has a molecular weight of 544.74 g/mol, XLogP of 9.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101264083 is sourced from PubChem (CID 101264083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).