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

C102H93B3O6 — CID 165007467

IUPAC4,4,5,5-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
SMILESCC1(C)OB(c2ccc3cc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)ccc3c2)OC1(C)C.CC1(C)OB(c2ccc3cc(-c4cccc(-c5ccccc5-c5ccccc5)c4)ccc3c2)OC1(C)C.CC1(C)OB(c2ccc3cc(-c4ccccc4-c4ccccc4-c4ccccc4)ccc3c2)OC1(C)C
InChIInChI=1S/3C34H31BO2/c1-33(2)34(3,4)37-35(36-33)28-21-20-25-22-27(19-18-26(25)23-28)30-15-9-11-17-32(30)31-16-10-8-14-29(31)24-12-6-5-7-13-24;1-33(2)34(3,4)37-35(36-33)30-20-19-27-21-26(17-18-28(27)23-30)25-13-10-14-29(22-25)32-16-9-8-15-31(32)24-11-6-5-7-12-24;1-33(2)34(3,4)37-35(36-33)32-20-19-30-22-29(17-18-31(30)23-32)28-12-8-11-27(21-28)26-15-13-25(14-16-26)24-9-6-5-7-10-24/h3*5-23H,1-4H3
InChIKeyJEKQJKVUVQJKJT-UHFFFAOYSA-N
MW1447.30 g/mol
LogP24.42
Rot. Bonds12

About 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

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 (PubChem CID 165007467) has the molecular formula C102H93B3O6 and a molecular weight of 1447.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,4,5,5-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
PubChem CID165007467
Molecular FormulaC102H93B3O6
Molecular Weight1447.30 g/mol
Exact Mass1446.73
IUPAC Name4,4,5,5-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
SMILESCC1(C)OB(c2ccc3cc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)ccc3c2)OC1(C)C.CC1(C)OB(c2ccc3cc(-c4cccc(-c5ccccc5-c5ccccc5)c4)ccc3c2)OC1(C)C.CC1(C)OB(c2ccc3cc(-c4ccccc4-c4ccccc4-c4ccccc4)ccc3c2)OC1(C)C
InChIInChI=1S/3C34H31BO2/c1-33(2)34(3,4)37-35(36-33)28-21-20-25-22-27(19-18-26(25)23-28)30-15-9-11-17-32(30)31-16-10-8-14-29(31)24-12-6-5-7-13-24;1-33(2)34(3,4)37-35(36-33)30-20-19-27-21-26(17-18-28(27)23-30)25-13-10-14-29(22-25)32-16-9-8-15-31(32)24-11-6-5-7-12-24;1-33(2)34(3,4)37-35(36-33)32-20-19-30-22-29(17-18-31(30)23-32)28-12-8-11-27(21-28)26-15-13-25(14-16-26)24-9-6-5-7-10-24/h3*5-23H,1-4H3
InChIKeyJEKQJKVUVQJKJT-UHFFFAOYSA-N
XLogP24.42
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001447.30
LogP ≤ 524.42
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-[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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)OB(c2ccc3cc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)ccc3c2)OC1(C)C.CC1(C)OB(c2ccc3cc(-c4cccc(-c5ccccc5-c5ccccc5)c4)ccc3c2)OC1(C)C.CC1(C)OB(c2ccc3cc(-c4ccccc4-c4ccccc4-c4ccccc4)ccc3c2)OC1(C)C.
What is the InChIKey of 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?
The InChIKey is JEKQJKVUVQJKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C34H31BO2/c1-33(2)34(3,4)37-35(36-33)28-21-20-25-22-27(19-18-26(25)23-28)30-15-9-11-17-32(30)31-16-10-8-14-29(31)24-12-6-5-7-13-24;1-33(2)34(3,4)37-35(36-33)30-20-19-27-21-26(17-18-28(27)23-30)25-13-10-14-29(22-25)32-16-9-8-15-31(32)24-11-6-5-7-12-24;1-33(2)34(3,4)37-35(36-33)32-20-19-30-22-29(17-18-31(30)23-32)28-12-8-11-27(21-28)26-15-13-25(14-16-26)24-9-6-5-7-10-24/h3*5-23H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1447.30 g/mol, XLogP of 24.42, 12 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-[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 is sourced from PubChem (CID 165007467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).