6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine

C49H41N3O — CID 164825526

IUPAC6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(-c1cccc3c1oc1cc(-c4ccc(-c5ccccc5)cc4)ccc13)n2-c1c(C(C)C)cc(-c2ccccc2)cc1C(C)C
InChIInChI=1S/C49H41N3O/c1-30(2)42-26-38(34-15-10-7-11-16-34)27-43(31(3)4)46(42)52-48(51-44-25-32(5)29-50-49(44)52)41-18-12-17-40-39-24-23-37(28-45(39)53-47(40)41)36-21-19-35(20-22-36)33-13-8-6-9-14-33/h6-31H,1-5H3
InChIKeyKASPDANRIXHQPU-UHFFFAOYSA-N
MW687.89 g/mol
LogP13.54
Rot. Bonds7

About 6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine

6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine (PubChem CID 164825526) has the molecular formula C49H41N3O and a molecular weight of 687.89 g/mol. Its IUPAC name is 6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine
PubChem CID164825526
Molecular FormulaC49H41N3O
Molecular Weight687.89 g/mol
Exact Mass687.32
IUPAC Name6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(-c1cccc3c1oc1cc(-c4ccc(-c5ccccc5)cc4)ccc13)n2-c1c(C(C)C)cc(-c2ccccc2)cc1C(C)C
InChIInChI=1S/C49H41N3O/c1-30(2)42-26-38(34-15-10-7-11-16-34)27-43(31(3)4)46(42)52-48(51-44-25-32(5)29-50-49(44)52)41-18-12-17-40-39-24-23-37(28-45(39)53-47(40)41)36-21-19-35(20-22-36)33-13-8-6-9-14-33/h6-31H,1-5H3
InChIKeyKASPDANRIXHQPU-UHFFFAOYSA-N
XLogP13.54
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.89
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline
CID 164826222
5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine
CID 164825917
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 167388071
3-[6-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]benzonitrile
CID 171461592
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624347
2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine
CID 164825026
1-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)-2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 176865596
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156657595
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(10,14,21-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-8-yl)benzimidazole
CID 168799242
5-methyl-2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624338

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine (CID 164825526) is 6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(-c1cccc3c1oc1cc(-c4ccc(-c5ccccc5)cc4)ccc13)n2-c1c(C(C)C)cc(-c2ccccc2)cc1C(C)C.
What is the InChIKey of 6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine?
The InChIKey is KASPDANRIXHQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N3O/c1-30(2)42-26-38(34-15-10-7-11-16-34)27-43(31(3)4)46(42)52-48(51-44-25-32(5)29-50-49(44)52)41-18-12-17-40-39-24-23-37(28-45(39)53-47(40)41)36-21-19-35(20-22-36)33-13-8-6-9-14-33/h6-31H,1-5H3.
What are the key properties of 6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine?
6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine has a molecular weight of 687.89 g/mol, XLogP of 13.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 164825526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).