1-(2,6-diphenylphenyl)-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole

C48H37N5O — CID 164731594

IUPAC1-(2,6-diphenylphenyl)-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
SMILESCN1CN(c2cccc(Oc3cccc(N4CN(c5c(-c6ccccc6)cccc5-c5ccccc5)c5c4ccc4ccccc54)c3)c2)c2ncccc21
InChIInChI=1S/C48H37N5O/c1-50-32-52(48-45(50)26-13-29-49-48)38-20-11-22-40(31-38)54-39-21-10-19-37(30-39)51-33-53(47-43-23-9-8-18-36(43)27-28-44(47)51)46-41(34-14-4-2-5-15-34)24-12-25-42(46)35-16-6-3-7-17-35/h2-31H,32-33H2,1H3
InChIKeyIWAWIIMOXJTKQK-UHFFFAOYSA-N
MW699.86 g/mol
LogP12.15
Rot. Bonds7

About 1-(2,6-diphenylphenyl)-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole

1-(2,6-diphenylphenyl)-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole (PubChem CID 164731594) has the molecular formula C48H37N5O and a molecular weight of 699.86 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole.

Molecular Properties

Compound Name1-(2,6-diphenylphenyl)-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
PubChem CID164731594
Molecular FormulaC48H37N5O
Molecular Weight699.86 g/mol
Exact Mass699.30
IUPAC Name1-(2,6-diphenylphenyl)-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
SMILESCN1CN(c2cccc(Oc3cccc(N4CN(c5c(-c6ccccc6)cccc5-c5ccccc5)c5c4ccc4ccccc54)c3)c2)c2ncccc21
InChIInChI=1S/C48H37N5O/c1-50-32-52(48-45(50)26-13-29-49-48)38-20-11-22-40(31-38)54-39-21-10-19-37(30-39)51-33-53(47-43-23-9-8-18-36(43)27-28-44(47)51)46-41(34-14-4-2-5-15-34)24-12-25-42(46)35-16-6-3-7-17-35/h2-31H,32-33H2,1H3
InChIKeyIWAWIIMOXJTKQK-UHFFFAOYSA-N
XLogP12.15
TPSA35.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.86
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
CID 164731922
4-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 140593854
9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole
CID 166007105
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
2-[3-[1-(2,6-diphenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole
CID 162704571
2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole
CID 163748784
11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 170668607
8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine
CID 162272328
2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783069
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diphenylphenyl)-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole?
The IUPAC name of 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) is 1-(2,6-diphenylphenyl)-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole.
What is the SMILES notation for 1-(2,6-diphenylphenyl)-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole?
The canonical SMILES for 1-(2,6-diphenylphenyl)-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole is CN1CN(c2cccc(Oc3cccc(N4CN(c5c(-c6ccccc6)cccc5-c5ccccc5)c5c4ccc4ccccc54)c3)c2)c2ncccc21.
What is the InChIKey of 1-(2,6-diphenylphenyl)-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole?
The InChIKey is IWAWIIMOXJTKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37N5O/c1-50-32-52(48-45(50)26-13-29-49-48)38-20-11-22-40(31-38)54-39-21-10-19-37(30-39)51-33-53(47-43-23-9-8-18-36(43)27-28-44(47)51)46-41(34-14-4-2-5-15-34)24-12-25-42(46)35-16-6-3-7-17-35/h2-31H,32-33H2,1H3.
What are the key properties of 1-(2,6-diphenylphenyl)-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole?
1-(2,6-diphenylphenyl)-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole has a molecular weight of 699.86 g/mol, XLogP of 12.15, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diphenylphenyl)-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole is sourced from PubChem (CID 164731594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).