(8-phenyldibenzofuran-1-yl)boronic acid

C18H13BO3 — CID 123712024

IUPAC(8-phenyldibenzofuran-1-yl)boronic acid
SMILESOB(O)c1cccc2oc3ccc(-c4ccccc4)cc3c12
InChIInChI=1S/C18H13BO3/c20-19(21)15-7-4-8-17-18(15)14-11-13(9-10-16(14)22-17)12-5-2-1-3-6-12/h1-11,20-21H
InChIKeyRCQNVDJTJLXSPU-UHFFFAOYSA-N
MW288.11 g/mol
LogP2.93
Rot. Bonds2

About (8-phenyldibenzofuran-1-yl)boronic acid

(8-phenyldibenzofuran-1-yl)boronic acid (PubChem CID 123712024) has the molecular formula C18H13BO3 and a molecular weight of 288.11 g/mol. Its IUPAC name is (8-phenyldibenzofuran-1-yl)boronic acid.

Molecular Properties

Compound Name(8-phenyldibenzofuran-1-yl)boronic acid
PubChem CID123712024
Molecular FormulaC18H13BO3
Molecular Weight288.11 g/mol
Exact Mass288.10
IUPAC Name(8-phenyldibenzofuran-1-yl)boronic acid
SMILESOB(O)c1cccc2oc3ccc(-c4ccccc4)cc3c12
InChIInChI=1S/C18H13BO3/c20-19(21)15-7-4-8-17-18(15)14-11-13(9-10-16(14)22-17)12-5-2-1-3-6-12/h1-11,20-21H
InChIKeyRCQNVDJTJLXSPU-UHFFFAOYSA-N
XLogP2.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.11
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 118148546
5-phenyl-18-[3-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 142487755
1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran
CID 138618454
4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane
CID 156631285
(5-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)boronic acid
CID 164799821
5-phenyl-16-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;5-phenyl-16-[4-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;16-phenyl-5-[3-(16-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;16-phenyl-5-[4-(16-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 160960033
8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167397321
7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-16-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
CID 142487650
ethane;2-(3-methylphenyl)-8-phenyldibenzofuran
CID 143904784
5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;5-phenyl-16-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;16-phenyl-5-(16-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;5-phenyl-16-[4-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;16-phenyl-5-[4-(16-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 161042353
5-phenyl-16-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 58004094
5-phenyl-16-[4-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 58004207

Frequently Asked Questions

What is the IUPAC name of (8-phenyldibenzofuran-1-yl)boronic acid?
The IUPAC name of (8-phenyldibenzofuran-1-yl)boronic acid (CID 123712024) is (8-phenyldibenzofuran-1-yl)boronic acid.
What is the SMILES notation for (8-phenyldibenzofuran-1-yl)boronic acid?
The canonical SMILES for (8-phenyldibenzofuran-1-yl)boronic acid is OB(O)c1cccc2oc3ccc(-c4ccccc4)cc3c12.
What is the InChIKey of (8-phenyldibenzofuran-1-yl)boronic acid?
The InChIKey is RCQNVDJTJLXSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BO3/c20-19(21)15-7-4-8-17-18(15)14-11-13(9-10-16(14)22-17)12-5-2-1-3-6-12/h1-11,20-21H.
What are the key properties of (8-phenyldibenzofuran-1-yl)boronic acid?
(8-phenyldibenzofuran-1-yl)boronic acid has a molecular weight of 288.11 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-phenyldibenzofuran-1-yl)boronic acid is sourced from PubChem (CID 123712024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).