2-(3-methyl-2H-imidazol-1-yl)-9-[4-methyl-3-(3-methyl-2H-imidazol-1-yl)-5-[3-(trideuteriomethyl)-2H-imidazol-1-yl]phenyl]-7-[3-(trideuteriomethyl)-2H-imidazol-1-yl]carbazole

C35H39N9 — CID 158431183

IUPAC2-(3-methyl-2H-imidazol-1-yl)-9-[4-methyl-3-(3-methyl-2H-imidazol-1-yl)-5-[3-(trideuteriomethyl)-2H-imidazol-1-yl]phenyl]-7-[3-(trideuteriomethyl)-2H-imidazol-1-yl]carbazole
SMILES[2H]C([2H])([2H])N1C=CN(c2ccc3c4ccc(N5C=CN(C)C5)cc4n(-c4cc(N5C=CN(C)C5)c(C)c(N5C=CN(C([2H])([2H])[2H])C5)c4)c3c2)C1
InChIInChI=1S/C35H39N9/c1-26-32(42-16-12-38(4)24-42)20-29(21-33(26)43-17-13-39(5)25-43)44-34-18-27(40-14-10-36(2)22-40)6-8-30(34)31-9-7-28(19-35(31)44)41-15-11-37(3)23-41/h6-21H,22-25H2,1-5H3/i2D3,4D3
InChIKeyMAUQWHDWHOZWAG-MXTRJSPVSA-N
MW591.80 g/mol
LogP5.81
Rot. Bonds7

About 2-(3-methyl-2H-imidazol-1-yl)-9-[4-methyl-3-(3-methyl-2H-imidazol-1-yl)-5-[3-(trideuteriomethyl)-2H-imidazol-1-yl]phenyl]-7-[3-(trideuteriomethyl)-2H-imidazol-1-yl]carbazole

2-(3-methyl-2H-imidazol-1-yl)-9-[4-methyl-3-(3-methyl-2H-imidazol-1-yl)-5-[3-(trideuteriomethyl)-2H-imidazol-1-yl]phenyl]-7-[3-(trideuteriomethyl)-2H-imidazol-1-yl]carbazole (PubChem CID 158431183) has the molecular formula C35H39N9 and a molecular weight of 591.80 g/mol. Its IUPAC name is 2-(3-methyl-2H-imidazol-1-yl)-9-[4-methyl-3-(3-methyl-2H-imidazol-1-yl)-5-[3-(trideuteriomethyl)-2H-imidazol-1-yl]phenyl]-7-[3-(trideuteriomethyl)-2H-imidazol-1-yl]carbazole.

Molecular Properties

Compound Name2-(3-methyl-2H-imidazol-1-yl)-9-[4-methyl-3-(3-methyl-2H-imidazol-1-yl)-5-[3-(trideuteriomethyl)-2H-imidazol-1-yl]phenyl]-7-[3-(trideuteriomethyl)-2H-imidazol-1-yl]carbazole
PubChem CID158431183
Molecular FormulaC35H39N9
Molecular Weight591.80 g/mol
Exact Mass591.37
IUPAC Name2-(3-methyl-2H-imidazol-1-yl)-9-[4-methyl-3-(3-methyl-2H-imidazol-1-yl)-5-[3-(trideuteriomethyl)-2H-imidazol-1-yl]phenyl]-7-[3-(trideuteriomethyl)-2H-imidazol-1-yl]carbazole
SMILES[2H]C([2H])([2H])N1C=CN(c2ccc3c4ccc(N5C=CN(C)C5)cc4n(-c4cc(N5C=CN(C)C5)c(C)c(N5C=CN(C([2H])([2H])[2H])C5)c4)c3c2)C1
InChIInChI=1S/C35H39N9/c1-26-32(42-16-12-38(4)24-42)20-29(21-33(26)43-17-13-39(5)25-43)44-34-18-27(40-14-10-36(2)22-40)6-8-30(34)31-9-7-28(19-35(31)44)41-15-11-37(3)23-41/h6-21H,22-25H2,1-5H3/i2D3,4D3
InChIKeyMAUQWHDWHOZWAG-MXTRJSPVSA-N
XLogP5.81
TPSA30.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.80
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)-9-[4-methyl-3-(3-methyl-2H-imidazol-1-yl)-5-[3-(trideuteriomethyl)-2H-imidazol-1-yl]phenyl]-7-[3-(trideuteriomethyl)-2H-imidazol-1-yl]carbazole?
The IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)-9-[4-methyl-3-(3-methyl-2H-imidazol-1-yl)-5-[3-(trideuteriomethyl)-2H-imidazol-1-yl]phenyl]-7-[3-(trideuteriomethyl)-2H-imidazol-1-yl]carbazole (CID 158431183) is 2-(3-methyl-2H-imidazol-1-yl)-9-[4-methyl-3-(3-methyl-2H-imidazol-1-yl)-5-[3-(trideuteriomethyl)-2H-imidazol-1-yl]phenyl]-7-[3-(trideuteriomethyl)-2H-imidazol-1-yl]carbazole.
What is the SMILES notation for 2-(3-methyl-2H-imidazol-1-yl)-9-[4-methyl-3-(3-methyl-2H-imidazol-1-yl)-5-[3-(trideuteriomethyl)-2H-imidazol-1-yl]phenyl]-7-[3-(trideuteriomethyl)-2H-imidazol-1-yl]carbazole?
The canonical SMILES for 2-(3-methyl-2H-imidazol-1-yl)-9-[4-methyl-3-(3-methyl-2H-imidazol-1-yl)-5-[3-(trideuteriomethyl)-2H-imidazol-1-yl]phenyl]-7-[3-(trideuteriomethyl)-2H-imidazol-1-yl]carbazole is [2H]C([2H])([2H])N1C=CN(c2ccc3c4ccc(N5C=CN(C)C5)cc4n(-c4cc(N5C=CN(C)C5)c(C)c(N5C=CN(C([2H])([2H])[2H])C5)c4)c3c2)C1.
What is the InChIKey of 2-(3-methyl-2H-imidazol-1-yl)-9-[4-methyl-3-(3-methyl-2H-imidazol-1-yl)-5-[3-(trideuteriomethyl)-2H-imidazol-1-yl]phenyl]-7-[3-(trideuteriomethyl)-2H-imidazol-1-yl]carbazole?
The InChIKey is MAUQWHDWHOZWAG-MXTRJSPVSA-N. The full InChI is InChI=1S/C35H39N9/c1-26-32(42-16-12-38(4)24-42)20-29(21-33(26)43-17-13-39(5)25-43)44-34-18-27(40-14-10-36(2)22-40)6-8-30(34)31-9-7-28(19-35(31)44)41-15-11-37(3)23-41/h6-21H,22-25H2,1-5H3/i2D3,4D3.
What are the key properties of 2-(3-methyl-2H-imidazol-1-yl)-9-[4-methyl-3-(3-methyl-2H-imidazol-1-yl)-5-[3-(trideuteriomethyl)-2H-imidazol-1-yl]phenyl]-7-[3-(trideuteriomethyl)-2H-imidazol-1-yl]carbazole?
2-(3-methyl-2H-imidazol-1-yl)-9-[4-methyl-3-(3-methyl-2H-imidazol-1-yl)-5-[3-(trideuteriomethyl)-2H-imidazol-1-yl]phenyl]-7-[3-(trideuteriomethyl)-2H-imidazol-1-yl]carbazole has a molecular weight of 591.80 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2H-imidazol-1-yl)-9-[4-methyl-3-(3-methyl-2H-imidazol-1-yl)-5-[3-(trideuteriomethyl)-2H-imidazol-1-yl]phenyl]-7-[3-(trideuteriomethyl)-2H-imidazol-1-yl]carbazole is sourced from PubChem (CID 158431183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).