4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane

C96H87B3O6 — CID 165021116

IUPAC4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3cc(-c4cc(-c5ccccc5)c5ccccc5c4)ccc3c2)OC1(C)C.CC1(C)OB(c2ccc3cc(-c4ccc5c(-c6ccccc6)cccc5c4)ccc3c2)OC1(C)C.CC1(C)OB(c2ccc3cc(-c4ccc5cc(-c6ccccc6)ccc5c4)ccc3c2)OC1(C)C
InChIInChI=1S/3C32H29BO2/c1-31(2)32(3,4)35-33(34-31)28-17-16-23-18-24(14-15-25(23)20-28)27-19-26-12-8-9-13-29(26)30(21-27)22-10-6-5-7-11-22;1-31(2)32(3,4)35-33(34-31)28-17-15-24-19-23(13-14-26(24)21-28)25-16-18-30-27(20-25)11-8-12-29(30)22-9-6-5-7-10-22;1-31(2)32(3,4)35-33(34-31)30-17-16-28-20-27(14-15-29(28)21-30)26-13-12-24-18-23(10-11-25(24)19-26)22-8-6-5-7-9-22/h3*5-21H,1-4H3
InChIKeyLEFZOWSQFVFFPQ-UHFFFAOYSA-N
MW1369.18 g/mol
LogP22.88
Rot. Bonds9

About 4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane (PubChem CID 165021116) has the molecular formula C96H87B3O6 and a molecular weight of 1369.18 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane
PubChem CID165021116
Molecular FormulaC96H87B3O6
Molecular Weight1369.18 g/mol
Exact Mass1368.68
IUPAC Name4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3cc(-c4cc(-c5ccccc5)c5ccccc5c4)ccc3c2)OC1(C)C.CC1(C)OB(c2ccc3cc(-c4ccc5c(-c6ccccc6)cccc5c4)ccc3c2)OC1(C)C.CC1(C)OB(c2ccc3cc(-c4ccc5cc(-c6ccccc6)ccc5c4)ccc3c2)OC1(C)C
InChIInChI=1S/3C32H29BO2/c1-31(2)32(3,4)35-33(34-31)28-17-16-23-18-24(14-15-25(23)20-28)27-19-26-12-8-9-13-29(26)30(21-27)22-10-6-5-7-11-22;1-31(2)32(3,4)35-33(34-31)28-17-15-24-19-23(13-14-26(24)21-28)25-16-18-30-27(20-25)11-8-12-29(30)22-9-6-5-7-10-22;1-31(2)32(3,4)35-33(34-31)30-17-16-28-20-27(14-15-29(28)21-30)26-13-12-24-18-23(10-11-25(24)19-26)22-8-6-5-7-9-22/h3*5-21H,1-4H3
InChIKeyLEFZOWSQFVFFPQ-UHFFFAOYSA-N
XLogP22.88
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001369.18
LogP ≤ 522.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane (CID 165021116) is 4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3cc(-c4cc(-c5ccccc5)c5ccccc5c4)ccc3c2)OC1(C)C.CC1(C)OB(c2ccc3cc(-c4ccc5c(-c6ccccc6)cccc5c4)ccc3c2)OC1(C)C.CC1(C)OB(c2ccc3cc(-c4ccc5cc(-c6ccccc6)ccc5c4)ccc3c2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane?
The InChIKey is LEFZOWSQFVFFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C32H29BO2/c1-31(2)32(3,4)35-33(34-31)28-17-16-23-18-24(14-15-25(23)20-28)27-19-26-12-8-9-13-29(26)30(21-27)22-10-6-5-7-11-22;1-31(2)32(3,4)35-33(34-31)28-17-15-24-19-23(13-14-26(24)21-28)25-16-18-30-27(20-25)11-8-12-29(30)22-9-6-5-7-10-22;1-31(2)32(3,4)35-33(34-31)30-17-16-28-20-27(14-15-29(28)21-30)26-13-12-24-18-23(10-11-25(24)19-26)22-8-6-5-7-9-22/h3*5-21H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane has a molecular weight of 1369.18 g/mol, XLogP of 22.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 165021116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).