7-(4-dibenzofuran-4-ylphenyl)-4-(1-phenylbenzimidazol-2-yl)benzimidazolo[1,2-a]quinazolin-5-one

C45H27N5O2 — CID 171448163

IUPAC7-(4-dibenzofuran-4-ylphenyl)-4-(1-phenylbenzimidazol-2-yl)benzimidazolo[1,2-a]quinazolin-5-one
SMILESO=c1nc2n(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3n2c2cccc(-c3nc4ccccc4n3-c3ccccc3)c12
InChIInChI=1S/C45H27N5O2/c51-44-41-34(43-46-35-18-5-6-19-36(35)48(43)29-12-2-1-3-13-29)17-11-22-39(41)50-38-21-8-7-20-37(38)49(45(50)47-44)30-26-24-28(25-27-30)31-15-10-16-33-32-14-4-9-23-40(32)52-42(31)33/h1-27H
InChIKeyZXXDGEDXMYAZBZ-UHFFFAOYSA-N
MW669.74 g/mol
LogP10.36
Rot. Bonds4

About 7-(4-dibenzofuran-4-ylphenyl)-4-(1-phenylbenzimidazol-2-yl)benzimidazolo[1,2-a]quinazolin-5-one

7-(4-dibenzofuran-4-ylphenyl)-4-(1-phenylbenzimidazol-2-yl)benzimidazolo[1,2-a]quinazolin-5-one (PubChem CID 171448163) has the molecular formula C45H27N5O2 and a molecular weight of 669.74 g/mol. Its IUPAC name is 7-(4-dibenzofuran-4-ylphenyl)-4-(1-phenylbenzimidazol-2-yl)benzimidazolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name7-(4-dibenzofuran-4-ylphenyl)-4-(1-phenylbenzimidazol-2-yl)benzimidazolo[1,2-a]quinazolin-5-one
PubChem CID171448163
Molecular FormulaC45H27N5O2
Molecular Weight669.74 g/mol
Exact Mass669.22
IUPAC Name7-(4-dibenzofuran-4-ylphenyl)-4-(1-phenylbenzimidazol-2-yl)benzimidazolo[1,2-a]quinazolin-5-one
SMILESO=c1nc2n(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3n2c2cccc(-c3nc4ccccc4n3-c3ccccc3)c12
InChIInChI=1S/C45H27N5O2/c51-44-41-34(43-46-35-18-5-6-19-36(35)48(43)29-12-2-1-3-13-29)17-11-22-39(41)50-38-21-8-7-20-37(38)49(45(50)47-44)30-26-24-28(25-27-30)31-15-10-16-33-32-14-4-9-23-40(32)52-42(31)33/h1-27H
InChIKeyZXXDGEDXMYAZBZ-UHFFFAOYSA-N
XLogP10.36
TPSA70.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.74
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 140923360
4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 140923359
6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 129087743
2-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-1-phenylbenzimidazole
CID 58309657
19-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene
CID 154646439
2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole
CID 58309599
5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 121420272
3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118488562
9-(4-dibenzofuran-4-ylphenyl)-14-[4-(4-phenylphenyl)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 126580159
9-(4-dibenzofuran-4-ylphenyl)-14-(4-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 126580156
8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156671868
2-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-1-phenylbenzimidazole
CID 146513867

Frequently Asked Questions

What is the IUPAC name of 7-(4-dibenzofuran-4-ylphenyl)-4-(1-phenylbenzimidazol-2-yl)benzimidazolo[1,2-a]quinazolin-5-one?
The IUPAC name of 7-(4-dibenzofuran-4-ylphenyl)-4-(1-phenylbenzimidazol-2-yl)benzimidazolo[1,2-a]quinazolin-5-one (CID 171448163) is 7-(4-dibenzofuran-4-ylphenyl)-4-(1-phenylbenzimidazol-2-yl)benzimidazolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 7-(4-dibenzofuran-4-ylphenyl)-4-(1-phenylbenzimidazol-2-yl)benzimidazolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 7-(4-dibenzofuran-4-ylphenyl)-4-(1-phenylbenzimidazol-2-yl)benzimidazolo[1,2-a]quinazolin-5-one is O=c1nc2n(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3n2c2cccc(-c3nc4ccccc4n3-c3ccccc3)c12.
What is the InChIKey of 7-(4-dibenzofuran-4-ylphenyl)-4-(1-phenylbenzimidazol-2-yl)benzimidazolo[1,2-a]quinazolin-5-one?
The InChIKey is ZXXDGEDXMYAZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5O2/c51-44-41-34(43-46-35-18-5-6-19-36(35)48(43)29-12-2-1-3-13-29)17-11-22-39(41)50-38-21-8-7-20-37(38)49(45(50)47-44)30-26-24-28(25-27-30)31-15-10-16-33-32-14-4-9-23-40(32)52-42(31)33/h1-27H.
What are the key properties of 7-(4-dibenzofuran-4-ylphenyl)-4-(1-phenylbenzimidazol-2-yl)benzimidazolo[1,2-a]quinazolin-5-one?
7-(4-dibenzofuran-4-ylphenyl)-4-(1-phenylbenzimidazol-2-yl)benzimidazolo[1,2-a]quinazolin-5-one has a molecular weight of 669.74 g/mol, XLogP of 10.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-dibenzofuran-4-ylphenyl)-4-(1-phenylbenzimidazol-2-yl)benzimidazolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 171448163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).