CID 167124732

C78H36F8N2O2 — CID 167124732

IUPAC—
SMILESO=C1c2cc3c(cc2C2c4ccccc4C24c2ccccc2C14)c1c2c4cc5c(cc4n4c6cc7c(cc6c(c6c8cc9c(cc8n3c16)C(F)(F)c1ccccc1C9(F)F)c24)C1c2ccccc2C12c1ccccc1C2C7=O)C(F)(F)c1ccccc1C5(F)F
InChIInChI=1S/C78H36F8N2O2/c79-75(80)49-21-9-12-24-52(49)78(85,86)56-32-60-43(27-53(56)75)63-61-41-25-37-39(71(89)67-35-15-3-7-19-47(35)73(67)45-17-5-1-13-33(45)65(37)73)29-57(41)87-59-31-55-54(76(81,82)50-22-10-11-23-51(50)77(55,83)84)28-44(59)64(69(61)87)62-42-26-38-40(30-58(42)88(60)70(62)63)72(90)68-36-16-4-8-20-48(36)74(68)46-18-6-2-14-34(46)66(38)74/h1-32,65-68H
InChIKeyFAIUWYVMZMOROK-UHFFFAOYSA-N
MW1185.14 g/mol
LogP18.62
Rot. Bonds

About CID 167124732

CID 167124732 (PubChem CID 167124732) has the molecular formula C78H36F8N2O2 and a molecular weight of 1185.14 g/mol.

Molecular Properties

Compound NameCID 167124732
PubChem CID167124732
Molecular FormulaC78H36F8N2O2
Molecular Weight1185.14 g/mol
Exact Mass1184.26
IUPAC Name—
SMILESO=C1c2cc3c(cc2C2c4ccccc4C24c2ccccc2C14)c1c2c4cc5c(cc4n4c6cc7c(cc6c(c6c8cc9c(cc8n3c16)C(F)(F)c1ccccc1C9(F)F)c24)C1c2ccccc2C12c1ccccc1C2C7=O)C(F)(F)c1ccccc1C5(F)F
InChIInChI=1S/C78H36F8N2O2/c79-75(80)49-21-9-12-24-52(49)78(85,86)56-32-60-43(27-53(56)75)63-61-41-25-37-39(71(89)67-35-15-3-7-19-47(35)73(67)45-17-5-1-13-33(45)65(37)73)29-57(41)87-59-31-55-54(76(81,82)50-22-10-11-23-51(50)77(55,83)84)28-44(59)64(69(61)87)62-42-26-38-40(30-58(42)88(60)70(62)63)72(90)68-36-16-4-8-20-48(36)74(68)46-18-6-2-14-34(46)66(38)74/h1-32,65-68H
InChIKeyFAIUWYVMZMOROK-UHFFFAOYSA-N
XLogP18.62
TPSA42.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001185.14
LogP ≤ 518.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 167124732?
The IUPAC name of CID 167124732 (CID 167124732) is not available.
What is the SMILES notation for CID 167124732?
The canonical SMILES for CID 167124732 is O=C1c2cc3c(cc2C2c4ccccc4C24c2ccccc2C14)c1c2c4cc5c(cc4n4c6cc7c(cc6c(c6c8cc9c(cc8n3c16)C(F)(F)c1ccccc1C9(F)F)c24)C1c2ccccc2C12c1ccccc1C2C7=O)C(F)(F)c1ccccc1C5(F)F.
What is the InChIKey of CID 167124732?
The InChIKey is FAIUWYVMZMOROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H36F8N2O2/c79-75(80)49-21-9-12-24-52(49)78(85,86)56-32-60-43(27-53(56)75)63-61-41-25-37-39(71(89)67-35-15-3-7-19-47(35)73(67)45-17-5-1-13-33(45)65(37)73)29-57(41)87-59-31-55-54(76(81,82)50-22-10-11-23-51(50)77(55,83)84)28-44(59)64(69(61)87)62-42-26-38-40(30-58(42)88(60)70(62)63)72(90)68-36-16-4-8-20-48(36)74(68)46-18-6-2-14-34(46)66(38)74/h1-32,65-68H.
What are the key properties of CID 167124732?
CID 167124732 has a molecular weight of 1185.14 g/mol, XLogP of 18.62, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167124732 is sourced from PubChem (CID 167124732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).