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

C90H64BBrO4 — CID 167675442

IUPAC2-(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
SMILESBrc1c2ccccc2c(-c2ccc3oc4ccccc4c3c2)c2ccccc12.CC1(C)OB(c2ccc(-c3ccc4ccccc4c3)cc2)OC1(C)C.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C42H26O.C26H15BrO.C22H23BO2/c1-2-10-30-25-31(22-19-27(30)9-1)28-17-20-29(21-18-28)41-34-12-3-5-14-36(34)42(37-15-6-4-13-35(37)41)32-23-24-40-38(26-32)33-11-7-8-16-39(33)43-40;27-26-20-10-3-1-8-18(20)25(19-9-2-4-11-21(19)26)16-13-14-24-22(15-16)17-7-5-6-12-23(17)28-24;1-21(2)22(3,4)25-23(24-21)20-13-11-17(12-14-20)19-10-9-16-7-5-6-8-18(16)15-19/h1-26H;1-15H;5-15H,1-4H3
InChIKeyUSYSIRWERLKAGU-UHFFFAOYSA-N
MW1300.21 g/mol
LogP25.17
Rot. Bonds6

About 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

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 (PubChem CID 167675442) has the molecular formula C90H64BBrO4 and a molecular weight of 1300.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID167675442
Molecular FormulaC90H64BBrO4
Molecular Weight1300.21 g/mol
Exact Mass1298.41
IUPAC Name2-(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
SMILESBrc1c2ccccc2c(-c2ccc3oc4ccccc4c3c2)c2ccccc12.CC1(C)OB(c2ccc(-c3ccc4ccccc4c3)cc2)OC1(C)C.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C42H26O.C26H15BrO.C22H23BO2/c1-2-10-30-25-31(22-19-27(30)9-1)28-17-20-29(21-18-28)41-34-12-3-5-14-36(34)42(37-15-6-4-13-35(37)41)32-23-24-40-38(26-32)33-11-7-8-16-39(33)43-40;27-26-20-10-3-1-8-18(20)25(19-9-2-4-11-21(19)26)16-13-14-24-22(15-16)17-7-5-6-12-23(17)28-24;1-21(2)22(3,4)25-23(24-21)20-13-11-17(12-14-20)19-10-9-16-7-5-6-8-18(16)15-19/h1-26H;1-15H;5-15H,1-4H3
InChIKeyUSYSIRWERLKAGU-UHFFFAOYSA-N
XLogP25.17
TPSA44.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001300.21
LogP ≤ 525.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[4-(8-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,2-dioxaborolane
CID 163974886
2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 174315687
2-[4-(4-deuteriodibenzofuran-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171449572
9-(3-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165028790
7-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 130188835
4,4,5,5-tetramethyl-2-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-1,3,2-dioxaborolane
CID 177271256
2-(3-dibenzofuran-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140828348
4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
CID 163601505
6-(10-bromoanthracen-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654333
2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran
CID 174296945
7-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;7-phenyl-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 164972218
19-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;19-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
CID 159714369

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1c2ccccc2c(-c2ccc3oc4ccccc4c3c2)c2ccccc12.CC1(C)OB(c2ccc(-c3ccc4ccccc4c3)cc2)OC1(C)C.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cc3)ccc2c1.
What is the InChIKey of 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?
The InChIKey is USYSIRWERLKAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O.C26H15BrO.C22H23BO2/c1-2-10-30-25-31(22-19-27(30)9-1)28-17-20-29(21-18-28)41-34-12-3-5-14-36(34)42(37-15-6-4-13-35(37)41)32-23-24-40-38(26-32)33-11-7-8-16-39(33)43-40;27-26-20-10-3-1-8-18(20)25(19-9-2-4-11-21(19)26)16-13-14-24-22(15-16)17-7-5-6-12-23(17)28-24;1-21(2)22(3,4)25-23(24-21)20-13-11-17(12-14-20)19-10-9-16-7-5-6-8-18(16)15-19/h1-26H;1-15H;5-15H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1300.21 g/mol, XLogP of 25.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167675442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).