1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole

C45H36N4O — CID 164731922

IUPAC1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
SMILESCN1C=CN(c2cccc(Oc3cccc(N4CN(c5c(-c6ccccc6)cccc5-c5ccccc5)c5c4ccc4ccccc54)c3)c2)C1
InChIInChI=1S/C45H36N4O/c1-46-27-28-47(31-46)36-18-10-20-38(29-36)50-39-21-11-19-37(30-39)48-32-49(45-42-22-9-8-17-35(42)25-26-43(45)48)44-40(33-13-4-2-5-14-33)23-12-24-41(44)34-15-6-3-7-16-34/h2-30H,31-32H2,1H3
InChIKeyQIPNXVPFIPBVMV-UHFFFAOYSA-N
MW648.81 g/mol
LogP11.39
Rot. Bonds7

About 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole

1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole (PubChem CID 164731922) has the molecular formula C45H36N4O and a molecular weight of 648.81 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole.

Molecular Properties

Compound Name1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
PubChem CID164731922
Molecular FormulaC45H36N4O
Molecular Weight648.81 g/mol
Exact Mass648.29
IUPAC Name1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
SMILESCN1C=CN(c2cccc(Oc3cccc(N4CN(c5c(-c6ccccc6)cccc5-c5ccccc5)c5c4ccc4ccccc54)c3)c2)C1
InChIInChI=1S/C45H36N4O/c1-46-27-28-47(31-46)36-18-10-20-38(29-36)50-39-21-11-19-37(30-39)48-32-49(45-42-22-9-8-17-35(42)25-26-43(45)48)44-40(33-13-4-2-5-14-33)23-12-24-41(44)34-15-6-3-7-16-34/h2-30H,31-32H2,1H3
InChIKeyQIPNXVPFIPBVMV-UHFFFAOYSA-N
XLogP11.39
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
CID 164731879
1-(2,6-diphenylphenyl)-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
CID 164731594
9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole
CID 166007105
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine
CID 168758447
4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine
CID 168763379
3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole
CID 162299889
1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole
CID 164731668
23-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-29-phenyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene
CID 171460139
9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 169288868
1-[3-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenoxy]phenyl]-3,5,6-trimethyl-2H-benzimidazole
CID 169065894
2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole
CID 163748784
2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole
CID 162704513

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole?
The IUPAC name of 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole (CID 164731922) is 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole.
What is the SMILES notation for 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole?
The canonical SMILES for 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole is CN1C=CN(c2cccc(Oc3cccc(N4CN(c5c(-c6ccccc6)cccc5-c5ccccc5)c5c4ccc4ccccc54)c3)c2)C1.
What is the InChIKey of 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole?
The InChIKey is QIPNXVPFIPBVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N4O/c1-46-27-28-47(31-46)36-18-10-20-38(29-36)50-39-21-11-19-37(30-39)48-32-49(45-42-22-9-8-17-35(42)25-26-43(45)48)44-40(33-13-4-2-5-14-33)23-12-24-41(44)34-15-6-3-7-16-34/h2-30H,31-32H2,1H3.
What are the key properties of 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole?
1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole has a molecular weight of 648.81 g/mol, XLogP of 11.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole is sourced from PubChem (CID 164731922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).