CID 155427930

C58H34N2O2S2 — CID 155427930

IUPAC—
SMILESc1ccc2c(c1)Oc1ccccc1C21c2cc(-n3c4ccccc4c4ccccc43)sc2C2(c3ccccc3Oc3ccccc32)c2cc(-n3c4ccccc4c4ccccc43)sc21
InChIInChI=1S/C58H34N2O2S2/c1-9-25-45-35(17-1)36-18-2-10-26-46(36)59(45)53-33-43-55(63-53)58(41-23-7-15-31-51(41)62-52-32-16-8-24-42(52)58)44-34-54(60-47-27-11-3-19-37(47)38-20-4-12-28-48(38)60)64-56(44)57(43)39-21-5-13-29-49(39)61-50-30-14-6-22-40(50)57/h1-34H
InChIKeyDETGKFOTQAJULV-UHFFFAOYSA-N
MW855.06 g/mol
LogP15.29
Rot. Bonds2

About CID 155427930

CID 155427930 (PubChem CID 155427930) has the molecular formula C58H34N2O2S2 and a molecular weight of 855.06 g/mol.

Molecular Properties

Compound NameCID 155427930
PubChem CID155427930
Molecular FormulaC58H34N2O2S2
Molecular Weight855.06 g/mol
Exact Mass854.21
IUPAC Name—
SMILESc1ccc2c(c1)Oc1ccccc1C21c2cc(-n3c4ccccc4c4ccccc43)sc2C2(c3ccccc3Oc3ccccc32)c2cc(-n3c4ccccc4c4ccccc43)sc21
InChIInChI=1S/C58H34N2O2S2/c1-9-25-45-35(17-1)36-18-2-10-26-46(36)59(45)53-33-43-55(63-53)58(41-23-7-15-31-51(41)62-52-32-16-8-24-42(52)58)44-34-54(60-47-27-11-3-19-37(47)38-20-4-12-28-48(38)60)64-56(44)57(43)39-21-5-13-29-49(39)61-50-30-14-6-22-40(50)57/h1-34H
InChIKeyDETGKFOTQAJULV-UHFFFAOYSA-N
XLogP15.29
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.06
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 155427930?
The IUPAC name of CID 155427930 (CID 155427930) is not available.
What is the SMILES notation for CID 155427930?
The canonical SMILES for CID 155427930 is c1ccc2c(c1)Oc1ccccc1C21c2cc(-n3c4ccccc4c4ccccc43)sc2C2(c3ccccc3Oc3ccccc32)c2cc(-n3c4ccccc4c4ccccc43)sc21.
What is the InChIKey of CID 155427930?
The InChIKey is DETGKFOTQAJULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2O2S2/c1-9-25-45-35(17-1)36-18-2-10-26-46(36)59(45)53-33-43-55(63-53)58(41-23-7-15-31-51(41)62-52-32-16-8-24-42(52)58)44-34-54(60-47-27-11-3-19-37(47)38-20-4-12-28-48(38)60)64-56(44)57(43)39-21-5-13-29-49(39)61-50-30-14-6-22-40(50)57/h1-34H.
What are the key properties of CID 155427930?
CID 155427930 has a molecular weight of 855.06 g/mol, XLogP of 15.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155427930 is sourced from PubChem (CID 155427930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).