CID 177474620

C42H24Cl4F2N — CID 177474620

IUPAC—
SMILESFc1cncc(F)c1[C](c1c(Cl)cc(-c2ccccc2)c(-c2ccccc2)c1Cl)c1c(Cl)cc(-c2ccccc2)c(-c2ccccc2)c1Cl
InChIInChI=1S/C42H24Cl4F2N/c43-31-21-29(25-13-5-1-6-14-25)35(27-17-9-3-10-18-27)41(45)37(31)40(39-33(47)23-49-24-34(39)48)38-32(44)22-30(26-15-7-2-8-16-26)36(42(38)46)28-19-11-4-12-20-28/h1-24H
InChIKeyIBBZVCXCRQVRKV-UHFFFAOYSA-N
MW722.47 g/mol
LogP13.66
Rot. Bonds7

About CID 177474620

CID 177474620 (PubChem CID 177474620) has the molecular formula C42H24Cl4F2N and a molecular weight of 722.47 g/mol.

Molecular Properties

Compound NameCID 177474620
PubChem CID177474620
Molecular FormulaC42H24Cl4F2N
Molecular Weight722.47 g/mol
Exact Mass720.06
IUPAC Name—
SMILESFc1cncc(F)c1[C](c1c(Cl)cc(-c2ccccc2)c(-c2ccccc2)c1Cl)c1c(Cl)cc(-c2ccccc2)c(-c2ccccc2)c1Cl
InChIInChI=1S/C42H24Cl4F2N/c43-31-21-29(25-13-5-1-6-14-25)35(27-17-9-3-10-18-27)41(45)37(31)40(39-33(47)23-49-24-34(39)48)38-32(44)22-30(26-15-7-2-8-16-26)36(42(38)46)28-19-11-4-12-20-28/h1-24H
InChIKeyIBBZVCXCRQVRKV-UHFFFAOYSA-N
XLogP13.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.47
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 177474620?
The IUPAC name of CID 177474620 (CID 177474620) is not available.
What is the SMILES notation for CID 177474620?
The canonical SMILES for CID 177474620 is Fc1cncc(F)c1[C](c1c(Cl)cc(-c2ccccc2)c(-c2ccccc2)c1Cl)c1c(Cl)cc(-c2ccccc2)c(-c2ccccc2)c1Cl.
What is the InChIKey of CID 177474620?
The InChIKey is IBBZVCXCRQVRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24Cl4F2N/c43-31-21-29(25-13-5-1-6-14-25)35(27-17-9-3-10-18-27)41(45)37(31)40(39-33(47)23-49-24-34(39)48)38-32(44)22-30(26-15-7-2-8-16-26)36(42(38)46)28-19-11-4-12-20-28/h1-24H.
What are the key properties of CID 177474620?
CID 177474620 has a molecular weight of 722.47 g/mol, XLogP of 13.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177474620 is sourced from PubChem (CID 177474620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).