diphenyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]borane

C30H30B2O2 — CID 156801345

IUPACdiphenyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]borane
SMILESCC1(C)OB(c2ccc(-c3cccc(B(c4ccccc4)c4ccccc4)c3)cc2)OC1(C)C
InChIInChI=1S/C30H30B2O2/c1-29(2)30(3,4)34-32(33-29)27-20-18-23(19-21-27)24-12-11-17-28(22-24)31(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h5-22H,1-4H3
InChIKeyPRLMRHOMHNCNQF-UHFFFAOYSA-N
MW444.19 g/mol
LogP4.17
Rot. Bonds5

About diphenyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]borane

diphenyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]borane (PubChem CID 156801345) has the molecular formula C30H30B2O2 and a molecular weight of 444.19 g/mol. Its IUPAC name is diphenyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]borane.

Molecular Properties

Compound Namediphenyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]borane
PubChem CID156801345
Molecular FormulaC30H30B2O2
Molecular Weight444.19 g/mol
Exact Mass444.24
IUPAC Namediphenyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]borane
SMILESCC1(C)OB(c2ccc(-c3cccc(B(c4ccccc4)c4ccccc4)c3)cc2)OC1(C)C
InChIInChI=1S/C30H30B2O2/c1-29(2)30(3,4)34-32(33-29)27-20-18-23(19-21-27)24-12-11-17-28(22-24)31(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h5-22H,1-4H3
InChIKeyPRLMRHOMHNCNQF-UHFFFAOYSA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.19
LogP ≤ 54.17
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

4,4,5,5-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane
CID 90065843
2-phenyl-4-(4-phenylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 139034816
4,4,5,5-tetramethyl-2-[4-(3-methylphenyl)phenyl]-1,3,2-dioxaborolane
CID 131375544
4-phenyl-6-(3-phenylphenyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 140797020
4,4,5,5-tetramethyl-2-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,2-dioxaborolane
CID 123477261
2-[3-(3,5-diphenylphenyl)-5-(3-phenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140796929
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenol
CID 162354292
2-[3-(3,5-diphenylphenyl)-5-(4-phenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140863932
2-[3,5-bis(4-phenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123189589
2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 59188592
4,4,5,5-tetramethyl-2-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,2-dioxaborolane
CID 165007467
2-[3,5-bis(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140797005

Frequently Asked Questions

What is the IUPAC name of diphenyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]borane?
The IUPAC name of diphenyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]borane (CID 156801345) is diphenyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]borane.
What is the SMILES notation for diphenyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]borane?
The canonical SMILES for diphenyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]borane is CC1(C)OB(c2ccc(-c3cccc(B(c4ccccc4)c4ccccc4)c3)cc2)OC1(C)C.
What is the InChIKey of diphenyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]borane?
The InChIKey is PRLMRHOMHNCNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30B2O2/c1-29(2)30(3,4)34-32(33-29)27-20-18-23(19-21-27)24-12-11-17-28(22-24)31(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h5-22H,1-4H3.
What are the key properties of diphenyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]borane?
diphenyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]borane has a molecular weight of 444.19 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]borane is sourced from PubChem (CID 156801345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).