CID 155428012

C42H24S6 — CID 155428012

IUPAC—
SMILESc1csc(-c2cc3c(s2)C2(c4ccccc4Sc4ccccc42)c2cc(-c4cccs4)sc2C32c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C42H24S6/c1-5-15-31-25(11-1)41(26-12-2-6-16-32(26)45-31)29-23-37(35-19-9-21-43-35)48-40(29)42(30-24-38(47-39(30)41)36-20-10-22-44-36)27-13-3-7-17-33(27)46-34-18-8-4-14-28(34)42/h1-24H
InChIKeyVQDZENQGXIAVGD-UHFFFAOYSA-N
MW721.06 g/mol
LogP13.27
Rot. Bonds2

About CID 155428012

CID 155428012 (PubChem CID 155428012) has the molecular formula C42H24S6 and a molecular weight of 721.06 g/mol.

Molecular Properties

Compound NameCID 155428012
PubChem CID155428012
Molecular FormulaC42H24S6
Molecular Weight721.06 g/mol
Exact Mass720.02
IUPAC Name—
SMILESc1csc(-c2cc3c(s2)C2(c4ccccc4Sc4ccccc42)c2cc(-c4cccs4)sc2C32c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C42H24S6/c1-5-15-31-25(11-1)41(26-12-2-6-16-32(26)45-31)29-23-37(35-19-9-21-43-35)48-40(29)42(30-24-38(47-39(30)41)36-20-10-22-44-36)27-13-3-7-17-33(27)46-34-18-8-4-14-28(34)42/h1-24H
InChIKeyVQDZENQGXIAVGD-UHFFFAOYSA-N
XLogP13.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.06
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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4,9-dithiophen-2-yl-13,16,17,20-tetraoxa-5,8-dithiapentacyclo[10.4.4.01,12.02,6.07,11]icosa-2(6),3,7(11),9-tetraene
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Frequently Asked Questions

What is the IUPAC name of CID 155428012?
The IUPAC name of CID 155428012 (CID 155428012) is not available.
What is the SMILES notation for CID 155428012?
The canonical SMILES for CID 155428012 is c1csc(-c2cc3c(s2)C2(c4ccccc4Sc4ccccc42)c2cc(-c4cccs4)sc2C32c3ccccc3Sc3ccccc32)c1.
What is the InChIKey of CID 155428012?
The InChIKey is VQDZENQGXIAVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24S6/c1-5-15-31-25(11-1)41(26-12-2-6-16-32(26)45-31)29-23-37(35-19-9-21-43-35)48-40(29)42(30-24-38(47-39(30)41)36-20-10-22-44-36)27-13-3-7-17-33(27)46-34-18-8-4-14-28(34)42/h1-24H.
What are the key properties of CID 155428012?
CID 155428012 has a molecular weight of 721.06 g/mol, XLogP of 13.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155428012 is sourced from PubChem (CID 155428012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).