[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl] trifluoromethanesulfonate;9-naphthalen-2-yl-10-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene;4,4,5,5-tetramethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,2-dioxaborolane

C107H76BF3O5S — CID 158882592

IUPAC[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl] trifluoromethanesulfonate;9-naphthalen-2-yl-10-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene;4,4,5,5-tetramethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)OC1(C)C.O=S(=O)(Oc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1)C(F)(F)F.c1ccc2cc(-c3ccc4cc(-c5ccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C50H32.C31H19F3O3S.C26H25BO2/c1-3-11-37-29-40(23-19-33(37)9-1)43-27-26-41-30-39(24-25-42(41)31-43)35-17-21-36(22-18-35)49-45-13-5-7-15-47(45)50(48-16-8-6-14-46(48)49)44-28-20-34-10-2-4-12-38(34)32-44;32-31(33,34)38(35,36)37-24-17-15-21(16-18-24)29-25-9-3-5-11-27(25)30(28-12-6-4-10-26(28)29)23-14-13-20-7-1-2-8-22(20)19-23;1-25(2)26(3,4)29-27(28-25)24-14-13-22-16-21(11-12-23(22)17-24)20-10-9-18-7-5-6-8-19(18)15-20/h1-32H;1-19H;5-17H,1-4H3
InChIKeyJDFFFDDMCSXVQI-UHFFFAOYSA-N
MW1541.65 g/mol
LogP28.79
Rot. Bonds10

About [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl] trifluoromethanesulfonate;9-naphthalen-2-yl-10-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene;4,4,5,5-tetramethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,2-dioxaborolane

[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl] trifluoromethanesulfonate;9-naphthalen-2-yl-10-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene;4,4,5,5-tetramethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,2-dioxaborolane (PubChem CID 158882592) has the molecular formula C107H76BF3O5S and a molecular weight of 1541.65 g/mol. Its IUPAC name is [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl] trifluoromethanesulfonate;9-naphthalen-2-yl-10-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene;4,4,5,5-tetramethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl] trifluoromethanesulfonate;9-naphthalen-2-yl-10-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene;4,4,5,5-tetramethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,2-dioxaborolane
PubChem CID158882592
Molecular FormulaC107H76BF3O5S
Molecular Weight1541.65 g/mol
Exact Mass1540.55
IUPAC Name[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl] trifluoromethanesulfonate;9-naphthalen-2-yl-10-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene;4,4,5,5-tetramethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)OC1(C)C.O=S(=O)(Oc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1)C(F)(F)F.c1ccc2cc(-c3ccc4cc(-c5ccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C50H32.C31H19F3O3S.C26H25BO2/c1-3-11-37-29-40(23-19-33(37)9-1)43-27-26-41-30-39(24-25-42(41)31-43)35-17-21-36(22-18-35)49-45-13-5-7-15-47(45)50(48-16-8-6-14-46(48)49)44-28-20-34-10-2-4-12-38(34)32-44;32-31(33,34)38(35,36)37-24-17-15-21(16-18-24)29-25-9-3-5-11-27(25)30(28-12-6-4-10-26(28)29)23-14-13-20-7-1-2-8-22(20)19-23;1-25(2)26(3,4)29-27(28-25)24-14-13-22-16-21(11-12-23(22)17-24)20-10-9-18-7-5-6-8-19(18)15-20/h1-32H;1-19H;5-17H,1-4H3
InChIKeyJDFFFDDMCSXVQI-UHFFFAOYSA-N
XLogP28.79
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001541.65
LogP ≤ 528.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl] trifluoromethanesulfonate;9-naphthalen-2-yl-10-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene;4,4,5,5-tetramethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,2-dioxaborolane with MolForge

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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
(6-anthracen-9-ylnaphthalen-2-yl) trifluoromethanesulfonate
CID 142743975
2-(10-bromoanthracen-9-yl)dibenzofuran;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4,4,5,5-tetramethyl-2-(4-naphthalen-2-ylphenyl)-1,3,2-dioxaborolane
CID 167675442
4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,2-dioxaborolane
CID 165019998
4,4,5,5-tetramethyl-2-(3-naphthalen-2-ylphenyl)-1,3,2-dioxaborolane
CID 164886110
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
[4-[1-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-1-(4-methylphenyl)ethyl]phenyl] trifluoromethanesulfonate;2-[4-[1-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 160788504
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
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
2-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl] trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159834396
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396

Frequently Asked Questions

What is the IUPAC name of [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl] trifluoromethanesulfonate;9-naphthalen-2-yl-10-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene;4,4,5,5-tetramethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl] trifluoromethanesulfonate;9-naphthalen-2-yl-10-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene;4,4,5,5-tetramethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,2-dioxaborolane (CID 158882592) is [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl] trifluoromethanesulfonate;9-naphthalen-2-yl-10-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene;4,4,5,5-tetramethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl] trifluoromethanesulfonate;9-naphthalen-2-yl-10-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene;4,4,5,5-tetramethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl] trifluoromethanesulfonate;9-naphthalen-2-yl-10-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene;4,4,5,5-tetramethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)OC1(C)C.O=S(=O)(Oc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1)C(F)(F)F.c1ccc2cc(-c3ccc4cc(-c5ccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)cc5)ccc4c3)ccc2c1.
What is the InChIKey of [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl] trifluoromethanesulfonate;9-naphthalen-2-yl-10-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene;4,4,5,5-tetramethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,2-dioxaborolane?
The InChIKey is JDFFFDDMCSXVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32.C31H19F3O3S.C26H25BO2/c1-3-11-37-29-40(23-19-33(37)9-1)43-27-26-41-30-39(24-25-42(41)31-43)35-17-21-36(22-18-35)49-45-13-5-7-15-47(45)50(48-16-8-6-14-46(48)49)44-28-20-34-10-2-4-12-38(34)32-44;32-31(33,34)38(35,36)37-24-17-15-21(16-18-24)29-25-9-3-5-11-27(25)30(28-12-6-4-10-26(28)29)23-14-13-20-7-1-2-8-22(20)19-23;1-25(2)26(3,4)29-27(28-25)24-14-13-22-16-21(11-12-23(22)17-24)20-10-9-18-7-5-6-8-19(18)15-20/h1-32H;1-19H;5-17H,1-4H3.
What are the key properties of [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl] trifluoromethanesulfonate;9-naphthalen-2-yl-10-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene;4,4,5,5-tetramethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,2-dioxaborolane?
[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl] trifluoromethanesulfonate;9-naphthalen-2-yl-10-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene;4,4,5,5-tetramethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1541.65 g/mol, XLogP of 28.79, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl] trifluoromethanesulfonate;9-naphthalen-2-yl-10-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene;4,4,5,5-tetramethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158882592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).