2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-5-methylphenoxy]-9-pyridin-2-ylcarbazole

C34H30N4O — CID 155606545

IUPAC2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-5-methylphenoxy]-9-pyridin-2-ylcarbazole
SMILES[2H]C([2H])([2H])N1CN(c2cc(C)cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c2cc(C)c(C)cc21
InChIInChI=1S/C34H30N4O/c1-22-15-25(37-21-36(4)32-17-23(2)24(3)18-33(32)37)19-27(16-22)39-26-12-13-29-28-9-5-6-10-30(28)38(31(29)20-26)34-11-7-8-14-35-34/h5-20H,21H2,1-4H3/i4D3
InChIKeyFGGTXQQBICIHBQ-GKOSEXJESA-N
MW513.66 g/mol
LogP8.44
Rot. Bonds5

About 2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-5-methylphenoxy]-9-pyridin-2-ylcarbazole

2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-5-methylphenoxy]-9-pyridin-2-ylcarbazole (PubChem CID 155606545) has the molecular formula C34H30N4O and a molecular weight of 513.66 g/mol. Its IUPAC name is 2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-5-methylphenoxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-5-methylphenoxy]-9-pyridin-2-ylcarbazole
PubChem CID155606545
Molecular FormulaC34H30N4O
Molecular Weight513.66 g/mol
Exact Mass513.26
IUPAC Name2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-5-methylphenoxy]-9-pyridin-2-ylcarbazole
SMILES[2H]C([2H])([2H])N1CN(c2cc(C)cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c2cc(C)c(C)cc21
InChIInChI=1S/C34H30N4O/c1-22-15-25(37-21-36(4)32-17-23(2)24(3)18-33(32)37)19-27(16-22)39-26-12-13-29-28-9-5-6-10-30(28)38(31(29)20-26)34-11-7-8-14-35-34/h5-20H,21H2,1-4H3/i4D3
InChIKeyFGGTXQQBICIHBQ-GKOSEXJESA-N
XLogP8.44
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.66
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole
CID 155606559
9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671
6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline
CID 162771944
1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole
CID 164731668
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651087
9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 140958316
22-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,23,25-dodecaene
CID 176821515
6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline
CID 162771880
6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153490581
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
9-(4-tert-butyl-2-pyridinyl)-2-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 153490664
2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole
CID 172534222

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-5-methylphenoxy]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-5-methylphenoxy]-9-pyridin-2-ylcarbazole (CID 155606545) is 2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-5-methylphenoxy]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-5-methylphenoxy]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-5-methylphenoxy]-9-pyridin-2-ylcarbazole is [2H]C([2H])([2H])N1CN(c2cc(C)cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c2cc(C)c(C)cc21.
What is the InChIKey of 2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-5-methylphenoxy]-9-pyridin-2-ylcarbazole?
The InChIKey is FGGTXQQBICIHBQ-GKOSEXJESA-N. The full InChI is InChI=1S/C34H30N4O/c1-22-15-25(37-21-36(4)32-17-23(2)24(3)18-33(32)37)19-27(16-22)39-26-12-13-29-28-9-5-6-10-30(28)38(31(29)20-26)34-11-7-8-14-35-34/h5-20H,21H2,1-4H3/i4D3.
What are the key properties of 2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-5-methylphenoxy]-9-pyridin-2-ylcarbazole?
2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-5-methylphenoxy]-9-pyridin-2-ylcarbazole has a molecular weight of 513.66 g/mol, XLogP of 8.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-5-methylphenoxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 155606545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).