2,4,6-tris[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine

C58H61N11 — CID 135250773

IUPAC2,4,6-tris[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine
SMILESCC1(C)N=C(c2ccccc2)N(c2cncc(-c3cc(-c4cncc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)c4)nc(-c4cncc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)c4)n3)c2)C1(C)C
InChIInChI=1S/C58H61N11/c1-53(2)56(7,8)67(50(64-53)38-22-16-13-17-23-38)44-28-41(32-59-35-44)47-31-48(42-29-45(36-60-33-42)68-51(39-24-18-14-19-25-39)65-54(3,4)57(68,9)10)63-49(62-47)43-30-46(37-61-34-43)69-52(40-26-20-15-21-27-40)66-55(5,6)58(69,11)12/h13-37H,1-12H3
InChIKeyVWMMBAQCXIKRLT-UHFFFAOYSA-N
MW912.20 g/mol
LogP12.13
Rot. Bonds9

About 2,4,6-tris[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine

2,4,6-tris[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine (PubChem CID 135250773) has the molecular formula C58H61N11 and a molecular weight of 912.20 g/mol. Its IUPAC name is 2,4,6-tris[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name2,4,6-tris[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine
PubChem CID135250773
Molecular FormulaC58H61N11
Molecular Weight912.20 g/mol
Exact Mass911.51
IUPAC Name2,4,6-tris[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine
SMILESCC1(C)N=C(c2ccccc2)N(c2cncc(-c3cc(-c4cncc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)c4)nc(-c4cncc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)c4)n3)c2)C1(C)C
InChIInChI=1S/C58H61N11/c1-53(2)56(7,8)67(50(64-53)38-22-16-13-17-23-38)44-28-41(32-59-35-44)47-31-48(42-29-45(36-60-33-42)68-51(39-24-18-14-19-25-39)65-54(3,4)57(68,9)10)63-49(62-47)43-30-46(37-61-34-43)69-52(40-26-20-15-21-27-40)66-55(5,6)58(69,11)12/h13-37H,1-12H3
InChIKeyVWMMBAQCXIKRLT-UHFFFAOYSA-N
XLogP12.13
TPSA111.25 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500912.20
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

2-(3-phenylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine
CID 135250598
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
3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine
CID 135249636
2-[4-[2,3-diphenyl-4-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole
CID 135250383
2,4,6-tris[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]pyrimidine
CID 135250723
2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole
CID 135250769
2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine
CID 58090461
4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine
CID 115915028
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
4-(2,6-diphenylpyrimidin-4-yl)-6-[4-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-2-pyridin-3-ylpyrimidine
CID 167146178
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine?
The IUPAC name of 2,4,6-tris[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine (CID 135250773) is 2,4,6-tris[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine.
What is the SMILES notation for 2,4,6-tris[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine?
The canonical SMILES for 2,4,6-tris[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine is CC1(C)N=C(c2ccccc2)N(c2cncc(-c3cc(-c4cncc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)c4)nc(-c4cncc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)c4)n3)c2)C1(C)C.
What is the InChIKey of 2,4,6-tris[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine?
The InChIKey is VWMMBAQCXIKRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H61N11/c1-53(2)56(7,8)67(50(64-53)38-22-16-13-17-23-38)44-28-41(32-59-35-44)47-31-48(42-29-45(36-60-33-42)68-51(39-24-18-14-19-25-39)65-54(3,4)57(68,9)10)63-49(62-47)43-30-46(37-61-34-43)69-52(40-26-20-15-21-27-40)66-55(5,6)58(69,11)12/h13-37H,1-12H3.
What are the key properties of 2,4,6-tris[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine?
2,4,6-tris[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine has a molecular weight of 912.20 g/mol, XLogP of 12.13, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 135250773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).