2-(4-bromophenyl)-4,4,5,5-tetramethyl-1-phenylimidazole;(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole

C106H86BBrN4O2 — CID 158287814

IUPAC2-(4-bromophenyl)-4,4,5,5-tetramethyl-1-phenylimidazole;(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole
SMILESCC1(C)N=C(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2ccc(Br)cc2)N(c2ccccc2)C1(C)C.OB(O)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C53H42N2.C34H23BO2.C19H21BrN2/c1-52(2)53(3,4)55(44-18-6-5-7-19-44)51(54-52)38-26-22-37(23-27-38)41-30-31-47-48(34-41)50(43-29-25-36-15-9-11-17-40(36)33-43)46-21-13-12-20-45(46)49(47)42-28-24-35-14-8-10-16-39(35)32-42;36-35(37)28-17-18-31-32(21-28)34(27-16-14-23-8-2-4-10-25(23)20-27)30-12-6-5-11-29(30)33(31)26-15-13-22-7-1-3-9-24(22)19-26;1-18(2)19(3,4)22(16-8-6-5-7-9-16)17(21-18)14-10-12-15(20)13-11-14/h5-34H,1-4H3;1-21,36-37H;5-13H,1-4H3
InChIKeyGKZMWIWDDIZVLY-UHFFFAOYSA-N
MW1538.60 g/mol
LogP26.71
Rot. Bonds10

About 2-(4-bromophenyl)-4,4,5,5-tetramethyl-1-phenylimidazole;(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole

2-(4-bromophenyl)-4,4,5,5-tetramethyl-1-phenylimidazole;(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole (PubChem CID 158287814) has the molecular formula C106H86BBrN4O2 and a molecular weight of 1538.60 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,4,5,5-tetramethyl-1-phenylimidazole;(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,4,5,5-tetramethyl-1-phenylimidazole;(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole
PubChem CID158287814
Molecular FormulaC106H86BBrN4O2
Molecular Weight1538.60 g/mol
Exact Mass1536.60
IUPAC Name2-(4-bromophenyl)-4,4,5,5-tetramethyl-1-phenylimidazole;(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole
SMILESCC1(C)N=C(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2ccc(Br)cc2)N(c2ccccc2)C1(C)C.OB(O)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C53H42N2.C34H23BO2.C19H21BrN2/c1-52(2)53(3,4)55(44-18-6-5-7-19-44)51(54-52)38-26-22-37(23-27-38)41-30-31-47-48(34-41)50(43-29-25-36-15-9-11-17-40(36)33-43)46-21-13-12-20-45(46)49(47)42-28-24-35-14-8-10-16-39(35)32-42;36-35(37)28-17-18-31-32(21-28)34(27-16-14-23-8-2-4-10-25(23)20-27)30-12-6-5-11-29(30)33(31)26-15-13-22-7-1-3-9-24(22)19-26;1-18(2)19(3,4)22(16-8-6-5-7-9-16)17(21-18)14-10-12-15(20)13-11-14/h5-34H,1-4H3;1-21,36-37H;5-13H,1-4H3
InChIKeyGKZMWIWDDIZVLY-UHFFFAOYSA-N
XLogP26.71
TPSA71.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001538.60
LogP ≤ 526.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-4,4,5,5-tetramethyl-1-phenylimidazole;(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole with MolForge

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Related Compounds

3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine
CID 135249636
N-(4-bromophenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid;uranium
CID 162231058
1-bromo-4-iodobenzene;2-(4-bromophenyl)naphthalene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 161268900
4,4,5,5-tetramethyl-1-phenyl-2-[4-[3-(4-phenylphenyl)-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]phenyl]phenyl]imidazole
CID 135250550
(9,10-dinaphthalen-2-yl-6,7-didehydroanthracen-2-yl)boronic acid;ethane
CID 143809006
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
2-bromo-6-pyridin-4-ylpyridine;2,6-dibromopyridine;bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-4-ylboronic acid
CID 158106702
2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58121670
2,7-dibromo-5,10-diphenylindolo[3,2-b]indole;2,7-dinaphthalen-2-yl-5,10-diphenylindolo[3,2-b]indole;naphthalen-2-ylboronic acid
CID 158748716
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,4,5,5-tetramethyl-1-phenylimidazole;(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole?
The IUPAC name of 2-(4-bromophenyl)-4,4,5,5-tetramethyl-1-phenylimidazole;(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole (CID 158287814) is 2-(4-bromophenyl)-4,4,5,5-tetramethyl-1-phenylimidazole;(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole.
What is the SMILES notation for 2-(4-bromophenyl)-4,4,5,5-tetramethyl-1-phenylimidazole;(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole?
The canonical SMILES for 2-(4-bromophenyl)-4,4,5,5-tetramethyl-1-phenylimidazole;(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole is CC1(C)N=C(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2ccc(Br)cc2)N(c2ccccc2)C1(C)C.OB(O)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 2-(4-bromophenyl)-4,4,5,5-tetramethyl-1-phenylimidazole;(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole?
The InChIKey is GKZMWIWDDIZVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42N2.C34H23BO2.C19H21BrN2/c1-52(2)53(3,4)55(44-18-6-5-7-19-44)51(54-52)38-26-22-37(23-27-38)41-30-31-47-48(34-41)50(43-29-25-36-15-9-11-17-40(36)33-43)46-21-13-12-20-45(46)49(47)42-28-24-35-14-8-10-16-39(35)32-42;36-35(37)28-17-18-31-32(21-28)34(27-16-14-23-8-2-4-10-25(23)20-27)30-12-6-5-11-29(30)33(31)26-15-13-22-7-1-3-9-24(22)19-26;1-18(2)19(3,4)22(16-8-6-5-7-9-16)17(21-18)14-10-12-15(20)13-11-14/h5-34H,1-4H3;1-21,36-37H;5-13H,1-4H3.
What are the key properties of 2-(4-bromophenyl)-4,4,5,5-tetramethyl-1-phenylimidazole;(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole?
2-(4-bromophenyl)-4,4,5,5-tetramethyl-1-phenylimidazole;(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole has a molecular weight of 1538.60 g/mol, XLogP of 26.71, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,4,5,5-tetramethyl-1-phenylimidazole;(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole is sourced from PubChem (CID 158287814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).