2-(4-bromophenyl)-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzimidazole;1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-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

C104H90B3BrN4O6 — CID 157288117

IUPAC2-(4-bromophenyl)-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzimidazole;1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-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(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)cc2)OC1(C)C
InChIInChI=1S/C49H39BN2O2.C43H27BrN2.C12H24B2O4/c1-48(2)49(3,4)54-50(53-48)35-28-24-34(25-29-35)47-51-43-22-11-12-23-44(43)52(47)36-30-26-33(27-31-36)45-39-17-7-9-19-41(39)46(42-20-10-8-18-40(42)45)38-21-13-15-32-14-5-6-16-37(32)38;44-31-24-20-30(21-25-31)43-45-39-18-7-8-19-40(39)46(43)32-26-22-29(23-27-32)41-35-13-3-5-15-37(35)42(38-16-6-4-14-36(38)41)34-17-9-11-28-10-1-2-12-33(28)34;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-31H,1-4H3;1-27H;1-8H3
InChIKeyBAMCRYCWODULRY-UHFFFAOYSA-N
MW1604.23 g/mol
LogP26.28
Rot. Bonds10

About 2-(4-bromophenyl)-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzimidazole;1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-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-bromophenyl)-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzimidazole;1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-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 157288117) has the molecular formula C104H90B3BrN4O6 and a molecular weight of 1604.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzimidazole;1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-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-bromophenyl)-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzimidazole;1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-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 CID157288117
Molecular FormulaC104H90B3BrN4O6
Molecular Weight1604.23 g/mol
Exact Mass1602.63
IUPAC Name2-(4-bromophenyl)-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzimidazole;1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-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(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)cc2)OC1(C)C
InChIInChI=1S/C49H39BN2O2.C43H27BrN2.C12H24B2O4/c1-48(2)49(3,4)54-50(53-48)35-28-24-34(25-29-35)47-51-43-22-11-12-23-44(43)52(47)36-30-26-33(27-31-36)45-39-17-7-9-19-41(39)46(42-20-10-8-18-40(42)45)38-21-13-15-32-14-5-6-16-37(32)38;44-31-24-20-30(21-25-31)43-45-39-18-7-8-19-40(39)46(43)32-26-22-29(23-27-32)41-35-13-3-5-15-37(35)42(38-16-6-4-14-36(38)41)34-17-9-11-28-10-1-2-12-33(28)34;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-31H,1-4H3;1-27H;1-8H3
InChIKeyBAMCRYCWODULRY-UHFFFAOYSA-N
XLogP26.28
TPSA91.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001604.23
LogP ≤ 526.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenyl)-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzimidazole;1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-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-[10-(4-Bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58037722
2-[3-[10-(4-Bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58037888
2-[4-[10-Bromo-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]phenyl]-1-phenylbenzimidazole
CID 58251623
1-Phenyl-2-[3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]benzimidazole
CID 58876205
2-[4-[9-Naphthalen-2-yl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 87186669
1-Phenyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-phenanthro[9,10-d]imidazole
CID 89061691
2,2'-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-phenylene)bis(1-phenyl-1H-benzo[d]imidazole)
CID 90199535
3-Bromo-15-phenyl-10-[4-(2-phenylbenzimidazol-1-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 117982690
2-(4-Bromophenyl)-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzimidazole
CID 122615819
1-[4-(10-Phenylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 140746655
1-[4-(10-Naphthalen-2-ylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 140746656
1-[4-(10-Naphthalen-1-ylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 140746657

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzimidazole;1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-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-bromophenyl)-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzimidazole;1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-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 157288117) is 2-(4-bromophenyl)-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzimidazole;1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-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-bromophenyl)-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzimidazole;1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-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-bromophenyl)-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzimidazole;1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-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(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)cc2)OC1(C)C.
What is the InChIKey of 2-(4-bromophenyl)-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzimidazole;1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-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 BAMCRYCWODULRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39BN2O2.C43H27BrN2.C12H24B2O4/c1-48(2)49(3,4)54-50(53-48)35-28-24-34(25-29-35)47-51-43-22-11-12-23-44(43)52(47)36-30-26-33(27-31-36)45-39-17-7-9-19-41(39)46(42-20-10-8-18-40(42)45)38-21-13-15-32-14-5-6-16-37(32)38;44-31-24-20-30(21-25-31)43-45-39-18-7-8-19-40(39)46(43)32-26-22-29(23-27-32)41-35-13-3-5-15-37(35)42(38-16-6-4-14-36(38)41)34-17-9-11-28-10-1-2-12-33(28)34;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-31H,1-4H3;1-27H;1-8H3.
What are the key properties of 2-(4-bromophenyl)-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzimidazole;1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-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-bromophenyl)-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzimidazole;1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-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 1604.23 g/mol, XLogP of 26.28, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzimidazole;1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-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 157288117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).