CID 101264082

C42H24O2S4 — CID 101264082

IUPAC—
SMILESc1csc(-c2cc3c(s2)-c2sc(-c4cccs4)cc2C2(c4ccccc4Oc4ccccc42)C32c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C42H24O2S4/c1-5-15-31-25(11-1)41(26-12-2-6-16-32(26)43-31)29-23-37(35-19-9-21-45-35)47-39(29)40-30(24-38(48-40)36-20-10-22-46-36)42(41)27-13-3-7-17-33(27)44-34-18-8-4-14-28(34)42/h1-24H
InChIKeyYUXSUEFQEGPCKE-UHFFFAOYSA-N
MW688.92 g/mol
LogP12.83
Rot. Bonds2

About CID 101264082

CID 101264082 (PubChem CID 101264082) has the molecular formula C42H24O2S4 and a molecular weight of 688.92 g/mol.

Molecular Properties

Compound NameCID 101264082
PubChem CID101264082
Molecular FormulaC42H24O2S4
Molecular Weight688.92 g/mol
Exact Mass688.07
IUPAC Name—
SMILESc1csc(-c2cc3c(s2)-c2sc(-c4cccs4)cc2C2(c4ccccc4Oc4ccccc42)C32c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C42H24O2S4/c1-5-15-31-25(11-1)41(26-12-2-6-16-32(26)43-31)29-23-37(35-19-9-21-45-35)47-39(29)40-30(24-38(48-40)36-20-10-22-46-36)42(41)27-13-3-7-17-33(27)44-34-18-8-4-14-28(34)42/h1-24H
InChIKeyYUXSUEFQEGPCKE-UHFFFAOYSA-N
XLogP12.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.92
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 101264082?
The IUPAC name of CID 101264082 (CID 101264082) is not available.
What is the SMILES notation for CID 101264082?
The canonical SMILES for CID 101264082 is c1csc(-c2cc3c(s2)-c2sc(-c4cccs4)cc2C2(c4ccccc4Oc4ccccc42)C32c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of CID 101264082?
The InChIKey is YUXSUEFQEGPCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24O2S4/c1-5-15-31-25(11-1)41(26-12-2-6-16-32(26)43-31)29-23-37(35-19-9-21-45-35)47-39(29)40-30(24-38(48-40)36-20-10-22-46-36)42(41)27-13-3-7-17-33(27)44-34-18-8-4-14-28(34)42/h1-24H.
What are the key properties of CID 101264082?
CID 101264082 has a molecular weight of 688.92 g/mol, XLogP of 12.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101264082 is sourced from PubChem (CID 101264082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).