CID 164765065

C56H36F4N2O6S2 — CID 164765065

IUPAC—
SMILESO=c1c(=Nc2cc3c(s2)C2=CC4C=C5C(=CC4C=C2C2(CCCCC2)O3)c2sc(N=c3c(=O)c4cc6cc(F)c(F)cc6cc4c3=O)cc2OC52CCCCC2)c(=O)c2cc3cc(F)c(F)cc3cc12
InChIInChI=1S/C56H36F4N2O6S2/c57-39-19-27-11-31-32(12-28(27)20-40(39)58)50(64)47(49(31)63)61-45-23-43-53(69-45)35-15-26-18-38-36(16-25(26)17-37(35)55(67-43)7-3-1-4-8-55)54-44(68-56(38)9-5-2-6-10-56)24-46(70-54)62-48-51(65)33-13-29-21-41(59)42(60)22-30(29)14-34(33)52(48)66/h11-26H,1-10H2
InChIKeyDNIDXLCSWXAJAF-UHFFFAOYSA-N
MW973.04 g/mol
LogP11.41
Rot. Bonds2

About CID 164765065

CID 164765065 (PubChem CID 164765065) has the molecular formula C56H36F4N2O6S2 and a molecular weight of 973.04 g/mol.

Molecular Properties

Compound NameCID 164765065
PubChem CID164765065
Molecular FormulaC56H36F4N2O6S2
Molecular Weight973.04 g/mol
Exact Mass972.20
IUPAC Name—
SMILESO=c1c(=Nc2cc3c(s2)C2=CC4C=C5C(=CC4C=C2C2(CCCCC2)O3)c2sc(N=c3c(=O)c4cc6cc(F)c(F)cc6cc4c3=O)cc2OC52CCCCC2)c(=O)c2cc3cc(F)c(F)cc3cc12
InChIInChI=1S/C56H36F4N2O6S2/c57-39-19-27-11-31-32(12-28(27)20-40(39)58)50(64)47(49(31)63)61-45-23-43-53(69-45)35-15-26-18-38-36(16-25(26)17-37(35)55(67-43)7-3-1-4-8-55)54-44(68-56(38)9-5-2-6-10-56)24-46(70-54)62-48-51(65)33-13-29-21-41(59)42(60)22-30(29)14-34(33)52(48)66/h11-26H,1-10H2
InChIKeyDNIDXLCSWXAJAF-UHFFFAOYSA-N
XLogP11.41
TPSA111.46 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.04
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of CID 164765065?
The IUPAC name of CID 164765065 (CID 164765065) is not available.
What is the SMILES notation for CID 164765065?
The canonical SMILES for CID 164765065 is O=c1c(=Nc2cc3c(s2)C2=CC4C=C5C(=CC4C=C2C2(CCCCC2)O3)c2sc(N=c3c(=O)c4cc6cc(F)c(F)cc6cc4c3=O)cc2OC52CCCCC2)c(=O)c2cc3cc(F)c(F)cc3cc12.
What is the InChIKey of CID 164765065?
The InChIKey is DNIDXLCSWXAJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36F4N2O6S2/c57-39-19-27-11-31-32(12-28(27)20-40(39)58)50(64)47(49(31)63)61-45-23-43-53(69-45)35-15-26-18-38-36(16-25(26)17-37(35)55(67-43)7-3-1-4-8-55)54-44(68-56(38)9-5-2-6-10-56)24-46(70-54)62-48-51(65)33-13-29-21-41(59)42(60)22-30(29)14-34(33)52(48)66/h11-26H,1-10H2.
What are the key properties of CID 164765065?
CID 164765065 has a molecular weight of 973.04 g/mol, XLogP of 11.41, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164765065 is sourced from PubChem (CID 164765065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).