CID 172791684

C30H24KO — CID 172791684

IUPAC—
SMILESOc1ccc(C=Cc2ccccc2)c(C=Cc2ccccc2)c1C=Cc1ccccc1.[K]
InChIInChI=1S/C30H24O.K/c31-30-23-20-27(19-16-24-10-4-1-5-11-24)28(21-17-25-12-6-2-7-13-25)29(30)22-18-26-14-8-3-9-15-26;/h1-23,31H;
InChIKeyPQOKKJISTWTRLP-UHFFFAOYSA-N
MW439.62 g/mol
LogP7.52
Rot. Bonds6

About CID 172791684

CID 172791684 (PubChem CID 172791684) has the molecular formula C30H24KO and a molecular weight of 439.62 g/mol.

Molecular Properties

Compound NameCID 172791684
PubChem CID172791684
Molecular FormulaC30H24KO
Molecular Weight439.62 g/mol
Exact Mass439.15
IUPAC Name—
SMILESOc1ccc(C=Cc2ccccc2)c(C=Cc2ccccc2)c1C=Cc1ccccc1.[K]
InChIInChI=1S/C30H24O.K/c31-30-23-20-27(19-16-24-10-4-1-5-11-24)28(21-17-25-12-6-2-7-13-25)29(30)22-18-26-14-8-3-9-15-26;/h1-23,31H;
InChIKeyPQOKKJISTWTRLP-UHFFFAOYSA-N
XLogP7.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.62
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze CID 172791684 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

but-2-enedioic acid;2,3,4-tris(2-phenylethenyl)phenol
CID 159401430
azanium;ethoxy sulfate;2,3,4-tris[(E)-2-phenylethenyl]phenol
CID 22486755
6-methyl-2,3-bis(2-phenylethenyl)phenol
CID 54059537
4-methyl-2-(2-phenylethenyl)benzene-1,3-diol
CID 135318520
CID 70567885
CID 70567885
2-(2-phenylethenyl)phenol;phosphoric acid
CID 67814298
2-(2-phenylethenyl)benzene-1,4-diol
CID 54196246
2-[(E)-2-isocyanoethenyl]-3-[(E)-2-phenylethenyl]phenol
CID 175848025
1-[1,6-diphenyl-4-(2-phenylethenyl)hexa-1,3,5-trien-3-yl]-2,3,4-tris(2-phenylethenyl)benzene
CID 57279966
CID 67900431
CID 67900431
2-chloro-3-(2-phenylethenyl)phenol
CID 70555314
2,3-bis[(E)-2-phenylethenyl]aniline
CID 22251468

Frequently Asked Questions

What is the IUPAC name of CID 172791684?
The IUPAC name of CID 172791684 (CID 172791684) is not available.
What is the SMILES notation for CID 172791684?
The canonical SMILES for CID 172791684 is Oc1ccc(C=Cc2ccccc2)c(C=Cc2ccccc2)c1C=Cc1ccccc1.[K].
What is the InChIKey of CID 172791684?
The InChIKey is PQOKKJISTWTRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O.K/c31-30-23-20-27(19-16-24-10-4-1-5-11-24)28(21-17-25-12-6-2-7-13-25)29(30)22-18-26-14-8-3-9-15-26;/h1-23,31H;.
What are the key properties of CID 172791684?
CID 172791684 has a molecular weight of 439.62 g/mol, XLogP of 7.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172791684 is sourced from PubChem (CID 172791684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).