2-[4-[10-(6-bromo-3-pyridinyl)-9-phenylanthracen-2-yl]phenyl]-1-phenylbenzimidazole;methane;1-phenyl-2-[4-[9-phenyl-10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C107H96B3BrN6O6 — CID 158349516

IUPAC2-[4-[10-(6-bromo-3-pyridinyl)-9-phenylanthracen-2-yl]phenyl]-1-phenylbenzimidazole;methane;1-phenyl-2-[4-[9-phenyl-10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)cn1.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)cn2)OC1(C)C
InChIInChI=1S/C50H40BN3O2.C44H28BrN3.C12H24B2O4.CH4/c1-49(2)50(3,4)56-51(55-49)45-30-28-37(32-52-45)47-40-20-12-11-19-39(40)46(34-15-7-5-8-16-34)42-31-36(27-29-41(42)47)33-23-25-35(26-24-33)48-53-43-21-13-14-22-44(43)54(48)38-17-9-6-10-18-38;45-41-26-24-33(28-46-41)43-36-16-8-7-15-35(36)42(30-11-3-1-4-12-30)38-27-32(23-25-37(38)43)29-19-21-31(22-20-29)44-47-39-17-9-10-18-40(39)48(44)34-13-5-2-6-14-34;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;/h5-32H,1-4H3;1-28H;1-8H3;1H4
InChIKeyGSDIWWBFLLCYEG-UHFFFAOYSA-N
MW1674.32 g/mol
LogP26.74
Rot. Bonds12

About 2-[4-[10-(6-bromo-3-pyridinyl)-9-phenylanthracen-2-yl]phenyl]-1-phenylbenzimidazole;methane;1-phenyl-2-[4-[9-phenyl-10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-[4-[10-(6-bromo-3-pyridinyl)-9-phenylanthracen-2-yl]phenyl]-1-phenylbenzimidazole;methane;1-phenyl-2-[4-[9-phenyl-10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158349516) has the molecular formula C107H96B3BrN6O6 and a molecular weight of 1674.32 g/mol. Its IUPAC name is 2-[4-[10-(6-bromo-3-pyridinyl)-9-phenylanthracen-2-yl]phenyl]-1-phenylbenzimidazole;methane;1-phenyl-2-[4-[9-phenyl-10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-[10-(6-bromo-3-pyridinyl)-9-phenylanthracen-2-yl]phenyl]-1-phenylbenzimidazole;methane;1-phenyl-2-[4-[9-phenyl-10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID158349516
Molecular FormulaC107H96B3BrN6O6
Molecular Weight1674.32 g/mol
Exact Mass1672.69
IUPAC Name2-[4-[10-(6-bromo-3-pyridinyl)-9-phenylanthracen-2-yl]phenyl]-1-phenylbenzimidazole;methane;1-phenyl-2-[4-[9-phenyl-10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)cn1.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)cn2)OC1(C)C
InChIInChI=1S/C50H40BN3O2.C44H28BrN3.C12H24B2O4.CH4/c1-49(2)50(3,4)56-51(55-49)45-30-28-37(32-52-45)47-40-20-12-11-19-39(40)46(34-15-7-5-8-16-34)42-31-36(27-29-41(42)47)33-23-25-35(26-24-33)48-53-43-21-13-14-22-44(43)54(48)38-17-9-6-10-18-38;45-41-26-24-33(28-46-41)43-36-16-8-7-15-35(36)42(30-11-3-1-4-12-30)38-27-32(23-25-37(38)43)29-19-21-31(22-20-29)44-47-39-17-9-10-18-40(39)48(44)34-13-5-2-6-14-34;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;/h5-32H,1-4H3;1-28H;1-8H3;1H4
InChIKeyGSDIWWBFLLCYEG-UHFFFAOYSA-N
XLogP26.74
TPSA116.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001674.32
LogP ≤ 526.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[4-[10-(6-bromo-3-pyridinyl)-9-phenylanthracen-2-yl]phenyl]-1-phenylbenzimidazole;methane;1-phenyl-2-[4-[9-phenyl-10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758
3,6-dibromophenanthrene;1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthren-3-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 161262634
2-[3-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 158746248
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534
2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58894895
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-(2,12-diphenyltetracen-5-yl)-1-phenylbenzimidazole
CID 168827448
5-[4-[6-[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 58953757
2-[4-(12-phenanthren-3-ylbenzo[a]anthracen-7-yl)phenyl]-1-phenylbenzimidazole
CID 59629559

Frequently Asked Questions

What is the IUPAC name of 2-[4-[10-(6-bromo-3-pyridinyl)-9-phenylanthracen-2-yl]phenyl]-1-phenylbenzimidazole;methane;1-phenyl-2-[4-[9-phenyl-10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-[10-(6-bromo-3-pyridinyl)-9-phenylanthracen-2-yl]phenyl]-1-phenylbenzimidazole;methane;1-phenyl-2-[4-[9-phenyl-10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158349516) is 2-[4-[10-(6-bromo-3-pyridinyl)-9-phenylanthracen-2-yl]phenyl]-1-phenylbenzimidazole;methane;1-phenyl-2-[4-[9-phenyl-10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-[10-(6-bromo-3-pyridinyl)-9-phenylanthracen-2-yl]phenyl]-1-phenylbenzimidazole;methane;1-phenyl-2-[4-[9-phenyl-10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-[10-(6-bromo-3-pyridinyl)-9-phenylanthracen-2-yl]phenyl]-1-phenylbenzimidazole;methane;1-phenyl-2-[4-[9-phenyl-10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)cn1.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)cn2)OC1(C)C.
What is the InChIKey of 2-[4-[10-(6-bromo-3-pyridinyl)-9-phenylanthracen-2-yl]phenyl]-1-phenylbenzimidazole;methane;1-phenyl-2-[4-[9-phenyl-10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is GSDIWWBFLLCYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40BN3O2.C44H28BrN3.C12H24B2O4.CH4/c1-49(2)50(3,4)56-51(55-49)45-30-28-37(32-52-45)47-40-20-12-11-19-39(40)46(34-15-7-5-8-16-34)42-31-36(27-29-41(42)47)33-23-25-35(26-24-33)48-53-43-21-13-14-22-44(43)54(48)38-17-9-6-10-18-38;45-41-26-24-33(28-46-41)43-36-16-8-7-15-35(36)42(30-11-3-1-4-12-30)38-27-32(23-25-37(38)43)29-19-21-31(22-20-29)44-47-39-17-9-10-18-40(39)48(44)34-13-5-2-6-14-34;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;/h5-32H,1-4H3;1-28H;1-8H3;1H4.
What are the key properties of 2-[4-[10-(6-bromo-3-pyridinyl)-9-phenylanthracen-2-yl]phenyl]-1-phenylbenzimidazole;methane;1-phenyl-2-[4-[9-phenyl-10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
2-[4-[10-(6-bromo-3-pyridinyl)-9-phenylanthracen-2-yl]phenyl]-1-phenylbenzimidazole;methane;1-phenyl-2-[4-[9-phenyl-10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1674.32 g/mol, XLogP of 26.74, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-(6-bromo-3-pyridinyl)-9-phenylanthracen-2-yl]phenyl]-1-phenylbenzimidazole;methane;1-phenyl-2-[4-[9-phenyl-10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158349516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).