2-[9-[4-(1-methylbenzimidazol-2-yl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline

C38H24N4O — CID 142462530

IUPAC2-[9-[4-(1-methylbenzimidazol-2-yl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline
SMILESCn1c(-c2ccc(-c3cccc4oc5ccc(-c6ccc7ccc8cccnc8c7n6)cc5c34)cc2)nc2ccccc21
InChIInChI=1S/C38H24N4O/c1-42-32-9-3-2-8-31(32)41-38(42)26-15-11-23(12-16-26)28-7-4-10-34-35(28)29-22-27(18-20-33(29)43-34)30-19-17-25-14-13-24-6-5-21-39-36(24)37(25)40-30/h2-22H,1H3
InChIKeyWWDGMULTVZRXHE-UHFFFAOYSA-N
MW552.64 g/mol
LogP9.57
Rot. Bonds3

About 2-[9-[4-(1-methylbenzimidazol-2-yl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline

2-[9-[4-(1-methylbenzimidazol-2-yl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline (PubChem CID 142462530) has the molecular formula C38H24N4O and a molecular weight of 552.64 g/mol. Its IUPAC name is 2-[9-[4-(1-methylbenzimidazol-2-yl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[9-[4-(1-methylbenzimidazol-2-yl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline
PubChem CID142462530
Molecular FormulaC38H24N4O
Molecular Weight552.64 g/mol
Exact Mass552.20
IUPAC Name2-[9-[4-(1-methylbenzimidazol-2-yl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline
SMILESCn1c(-c2ccc(-c3cccc4oc5ccc(-c6ccc7ccc8cccnc8c7n6)cc5c34)cc2)nc2ccccc21
InChIInChI=1S/C38H24N4O/c1-42-32-9-3-2-8-31(32)41-38(42)26-15-11-23(12-16-26)28-7-4-10-34-35(28)29-22-27(18-20-33(29)43-34)30-19-17-25-14-13-24-6-5-21-39-36(24)37(25)40-30/h2-22H,1H3
InChIKeyWWDGMULTVZRXHE-UHFFFAOYSA-N
XLogP9.57
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[9-[4-(2-isocyanophenyl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline
CID 153277486
4-[8-(1,10-phenanthrolin-2-yl)dibenzofuran-1-yl]benzonitrile
CID 146990897
2-[6-[7-[8-(1,10-phenanthrolin-2-yl)dibenzofuran-1-yl]quinolin-3-yl]-9-quinolin-7-yldibenzofuran-2-yl]-9-phenyl-1,10-phenanthroline
CID 149309366
5-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;2-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 162237267
10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline
CID 146301174
2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 90049774
10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline
CID 146301042
2-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline
CID 118503436
9-phenyl-3-[9-[3-(2-phenyl-1,5-naphthyridin-4-yl)phenyl]dibenzofuran-2-yl]carbazole
CID 134594841
2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine
CID 166041138
2-(27-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.021,26]nonacosa-1(29),2(11),3,5,7,9,12,14,16,18,20(28),21(26),22,24-tetradecaen-23-yl)-1,10-phenanthroline
CID 146511117
1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole
CID 118055725

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-(1-methylbenzimidazol-2-yl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline?
The IUPAC name of 2-[9-[4-(1-methylbenzimidazol-2-yl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline (CID 142462530) is 2-[9-[4-(1-methylbenzimidazol-2-yl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-[9-[4-(1-methylbenzimidazol-2-yl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline?
The canonical SMILES for 2-[9-[4-(1-methylbenzimidazol-2-yl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline is Cn1c(-c2ccc(-c3cccc4oc5ccc(-c6ccc7ccc8cccnc8c7n6)cc5c34)cc2)nc2ccccc21.
What is the InChIKey of 2-[9-[4-(1-methylbenzimidazol-2-yl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline?
The InChIKey is WWDGMULTVZRXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O/c1-42-32-9-3-2-8-31(32)41-38(42)26-15-11-23(12-16-26)28-7-4-10-34-35(28)29-22-27(18-20-33(29)43-34)30-19-17-25-14-13-24-6-5-21-39-36(24)37(25)40-30/h2-22H,1H3.
What are the key properties of 2-[9-[4-(1-methylbenzimidazol-2-yl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline?
2-[9-[4-(1-methylbenzimidazol-2-yl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline has a molecular weight of 552.64 g/mol, XLogP of 9.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-(1-methylbenzimidazol-2-yl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 142462530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).