CID 90291993

C24H13BO2 — CID 90291993

IUPAC—
SMILES[B]c1ccc2oc3ccc(-c4ccc5oc6ccccc6c5c4)cc3c2c1
InChIInChI=1S/C24H13BO2/c25-16-7-10-24-20(13-16)19-12-15(6-9-23(19)27-24)14-5-8-22-18(11-14)17-3-1-2-4-21(17)26-22/h1-13H
InChIKeyYHEZWXDFVPLYMA-UHFFFAOYSA-N
MW344.18 g/mol
LogP5.95
Rot. Bonds1

About CID 90291993

CID 90291993 (PubChem CID 90291993) has the molecular formula C24H13BO2 and a molecular weight of 344.18 g/mol.

Molecular Properties

Compound NameCID 90291993
PubChem CID90291993
Molecular FormulaC24H13BO2
Molecular Weight344.18 g/mol
Exact Mass344.10
IUPAC Name—
SMILES[B]c1ccc2oc3ccc(-c4ccc5oc6ccccc6c5c4)cc3c2c1
InChIInChI=1S/C24H13BO2/c25-16-7-10-24-20(13-16)19-12-15(6-9-23(19)27-24)14-5-8-22-18(11-14)17-3-1-2-4-21(17)26-22/h1-13H
InChIKeyYHEZWXDFVPLYMA-UHFFFAOYSA-N
XLogP5.95
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.18
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 153329393
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2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
6-[8-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 142487676
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran
CID 90250402
6-[3-(3-triphenylen-2-ylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163594432
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136885
2-[4-[4-(3-fluorophenyl)phenyl]phenyl]dibenzofuran
CID 171056558
2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 137466525

Frequently Asked Questions

What is the IUPAC name of CID 90291993?
The IUPAC name of CID 90291993 (CID 90291993) is not available.
What is the SMILES notation for CID 90291993?
The canonical SMILES for CID 90291993 is [B]c1ccc2oc3ccc(-c4ccc5oc6ccccc6c5c4)cc3c2c1.
What is the InChIKey of CID 90291993?
The InChIKey is YHEZWXDFVPLYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13BO2/c25-16-7-10-24-20(13-16)19-12-15(6-9-23(19)27-24)14-5-8-22-18(11-14)17-3-1-2-4-21(17)26-22/h1-13H.
What are the key properties of CID 90291993?
CID 90291993 has a molecular weight of 344.18 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90291993 is sourced from PubChem (CID 90291993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).