CID 174363159

C30H28BO3 — CID 174363159

IUPAC—
SMILESCC(C)(O)C(C)(C)O[B]c1ccc2oc3cc(-c4cccc(-c5ccccc5)c4)ccc3c2c1
InChIInChI=1S/C30H28BO3/c1-29(2,32)30(3,4)34-31-24-14-16-27-26(19-24)25-15-13-23(18-28(25)33-27)22-12-8-11-21(17-22)20-9-6-5-7-10-20/h5-19,32H,1-4H3
InChIKeyWILHDEWANHGGOU-UHFFFAOYSA-N
MW447.36 g/mol
LogP6.73
Rot. Bonds6

About CID 174363159

CID 174363159 (PubChem CID 174363159) has the molecular formula C30H28BO3 and a molecular weight of 447.36 g/mol.

Molecular Properties

Compound NameCID 174363159
PubChem CID174363159
Molecular FormulaC30H28BO3
Molecular Weight447.36 g/mol
Exact Mass447.21
IUPAC Name—
SMILESCC(C)(O)C(C)(C)O[B]c1ccc2oc3cc(-c4cccc(-c5ccccc5)c4)ccc3c2c1
InChIInChI=1S/C30H28BO3/c1-29(2,32)30(3,4)34-31-24-14-16-27-26(19-24)25-15-13-23(18-28(25)33-27)22-12-8-11-21(17-22)20-9-6-5-7-10-20/h5-19,32H,1-4H3
InChIKeyWILHDEWANHGGOU-UHFFFAOYSA-N
XLogP6.73
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.36
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 140706912
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CID 158838449
CID 163639190
CID 163639190
CID 174013969
CID 174013969
CID 174040340
CID 174040340
CID 152860476
CID 152860476
CID 174267142
CID 174267142
CID 163639191
CID 163639191
2-phenyl-4-(7-phenyldibenzofuran-2-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 139549251
2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171597223
2-phenyl-4-[3-(8-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155773208

Frequently Asked Questions

What is the IUPAC name of CID 174363159?
The IUPAC name of CID 174363159 (CID 174363159) is not available.
What is the SMILES notation for CID 174363159?
The canonical SMILES for CID 174363159 is CC(C)(O)C(C)(C)O[B]c1ccc2oc3cc(-c4cccc(-c5ccccc5)c4)ccc3c2c1.
What is the InChIKey of CID 174363159?
The InChIKey is WILHDEWANHGGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28BO3/c1-29(2,32)30(3,4)34-31-24-14-16-27-26(19-24)25-15-13-23(18-28(25)33-27)22-12-8-11-21(17-22)20-9-6-5-7-10-20/h5-19,32H,1-4H3.
What are the key properties of CID 174363159?
CID 174363159 has a molecular weight of 447.36 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174363159 is sourced from PubChem (CID 174363159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).