2-phenoxy-1-(2-phenylphenyl)-4-(6-phenyl-2-pyridinyl)benzimidazole

C36H25N3O — CID 164845432

IUPAC2-phenoxy-1-(2-phenylphenyl)-4-(6-phenyl-2-pyridinyl)benzimidazole
SMILESc1ccc(Oc2nc3c(-c4cccc(-c5ccccc5)n4)cccc3n2-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C36H25N3O/c1-4-14-26(15-5-1)29-20-10-11-24-33(29)39-34-25-12-21-30(35(34)38-36(39)40-28-18-8-3-9-19-28)32-23-13-22-31(37-32)27-16-6-2-7-17-27/h1-25H
InChIKeyDJRUMZGWRWDXPN-UHFFFAOYSA-N
MW515.62 g/mol
LogP9.21
Rot. Bonds6

About 2-phenoxy-1-(2-phenylphenyl)-4-(6-phenyl-2-pyridinyl)benzimidazole

2-phenoxy-1-(2-phenylphenyl)-4-(6-phenyl-2-pyridinyl)benzimidazole (PubChem CID 164845432) has the molecular formula C36H25N3O and a molecular weight of 515.62 g/mol. Its IUPAC name is 2-phenoxy-1-(2-phenylphenyl)-4-(6-phenyl-2-pyridinyl)benzimidazole.

Molecular Properties

Compound Name2-phenoxy-1-(2-phenylphenyl)-4-(6-phenyl-2-pyridinyl)benzimidazole
PubChem CID164845432
Molecular FormulaC36H25N3O
Molecular Weight515.62 g/mol
Exact Mass515.20
IUPAC Name2-phenoxy-1-(2-phenylphenyl)-4-(6-phenyl-2-pyridinyl)benzimidazole
SMILESc1ccc(Oc2nc3c(-c4cccc(-c5ccccc5)n4)cccc3n2-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C36H25N3O/c1-4-14-26(15-5-1)29-20-10-11-24-33(29)39-34-25-12-21-30(35(34)38-36(39)40-28-18-8-3-9-19-28)32-23-13-22-31(37-32)27-16-6-2-7-17-27/h1-25H
InChIKeyDJRUMZGWRWDXPN-UHFFFAOYSA-N
XLogP9.21
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.62
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-phenylbenzene-2-id-1-yl)oxy-1-(2-phenylphenyl)-4-pyridin-2-ylbenzimidazole;platinum(2+)
CID 164845418
3-N,3-N,6-N,6-N-tetraphenyl-9-[2-[4-(6-phenyl-2-pyridinyl)phenyl]phenyl]carbazole-3,6-diamine
CID 138675153
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 169037362
2-(2-methoxyphenyl)-6-(6-phenyl-2-pyridinyl)pyridine
CID 23135803
9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 153287600
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032295
11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole
CID 169037058
5-[4-cyano-3,5-bis[4-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 139538925
4,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
CID 147090698
9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-[2-(6-phenyl-2-pyridinyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169037372
4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146845706
9-[2-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)phenyl]-14-(2-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155240258

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-(2-phenylphenyl)-4-(6-phenyl-2-pyridinyl)benzimidazole?
The IUPAC name of 2-phenoxy-1-(2-phenylphenyl)-4-(6-phenyl-2-pyridinyl)benzimidazole (CID 164845432) is 2-phenoxy-1-(2-phenylphenyl)-4-(6-phenyl-2-pyridinyl)benzimidazole.
What is the SMILES notation for 2-phenoxy-1-(2-phenylphenyl)-4-(6-phenyl-2-pyridinyl)benzimidazole?
The canonical SMILES for 2-phenoxy-1-(2-phenylphenyl)-4-(6-phenyl-2-pyridinyl)benzimidazole is c1ccc(Oc2nc3c(-c4cccc(-c5ccccc5)n4)cccc3n2-c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 2-phenoxy-1-(2-phenylphenyl)-4-(6-phenyl-2-pyridinyl)benzimidazole?
The InChIKey is DJRUMZGWRWDXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3O/c1-4-14-26(15-5-1)29-20-10-11-24-33(29)39-34-25-12-21-30(35(34)38-36(39)40-28-18-8-3-9-19-28)32-23-13-22-31(37-32)27-16-6-2-7-17-27/h1-25H.
What are the key properties of 2-phenoxy-1-(2-phenylphenyl)-4-(6-phenyl-2-pyridinyl)benzimidazole?
2-phenoxy-1-(2-phenylphenyl)-4-(6-phenyl-2-pyridinyl)benzimidazole has a molecular weight of 515.62 g/mol, XLogP of 9.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-(2-phenylphenyl)-4-(6-phenyl-2-pyridinyl)benzimidazole is sourced from PubChem (CID 164845432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).