CID 164799886

C28H16BO4 — CID 164799886

IUPAC—
SMILESO[B]Oc1cccc2oc3ccc(-c4cccc5oc6ccc7ccccc7c6c45)cc3c12
InChIInChI=1S/C28H16BO4/c30-29-33-25-10-4-9-22-26(25)20-15-17(12-13-21(20)31-22)19-7-3-8-23-28(19)27-18-6-2-1-5-16(18)11-14-24(27)32-23/h1-15,30H
InChIKeyNDLJZEVPYMSQSM-UHFFFAOYSA-N
MW427.24 g/mol
LogP7.21
Rot. Bonds3

About CID 164799886

CID 164799886 (PubChem CID 164799886) has the molecular formula C28H16BO4 and a molecular weight of 427.24 g/mol.

Molecular Properties

Compound NameCID 164799886
PubChem CID164799886
Molecular FormulaC28H16BO4
Molecular Weight427.24 g/mol
Exact Mass427.11
IUPAC Name—
SMILESO[B]Oc1cccc2oc3ccc(-c4cccc5oc6ccc7ccccc7c6c45)cc3c12
InChIInChI=1S/C28H16BO4/c30-29-33-25-10-4-9-22-26(25)20-15-17(12-13-21(20)31-22)19-7-3-8-23-28(19)27-18-6-2-1-5-16(18)11-14-24(27)32-23/h1-15,30H
InChIKeyNDLJZEVPYMSQSM-UHFFFAOYSA-N
XLogP7.21
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.24
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 165069093
11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran
CID 177072140
CID 161053768
CID 161053768
8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran
CID 129100711
CID 171589033
CID 171589033
N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170001218
(5-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)boronic acid
CID 164799821
CID 159778061
CID 159778061
11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 155201324
1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran
CID 129100193
10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 166587818
CID 161328443
CID 161328443

Frequently Asked Questions

What is the IUPAC name of CID 164799886?
The IUPAC name of CID 164799886 (CID 164799886) is not available.
What is the SMILES notation for CID 164799886?
The canonical SMILES for CID 164799886 is O[B]Oc1cccc2oc3ccc(-c4cccc5oc6ccc7ccccc7c6c45)cc3c12.
What is the InChIKey of CID 164799886?
The InChIKey is NDLJZEVPYMSQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16BO4/c30-29-33-25-10-4-9-22-26(25)20-15-17(12-13-21(20)31-22)19-7-3-8-23-28(19)27-18-6-2-1-5-16(18)11-14-24(27)32-23/h1-15,30H.
What are the key properties of CID 164799886?
CID 164799886 has a molecular weight of 427.24 g/mol, XLogP of 7.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164799886 is sourced from PubChem (CID 164799886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).