2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one

C45H32N4O3 — CID 6617735

IUPAC2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
SMILESCOc1ccc(-c2nc(-c3ccc4c(c3)C(=O)c3cc(-c5nc(-c6ccc(OC)cc6)[nH]c5-c5ccccc5)ccc3-4)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C45H32N4O3/c1-51-33-19-13-29(14-20-33)44-46-39(27-9-5-3-6-10-27)41(48-44)31-17-23-35-36-24-18-32(26-38(36)43(50)37(35)25-31)42-40(28-11-7-4-8-12-28)47-45(49-42)30-15-21-34(52-2)22-16-30/h3-26H,1-2H3,(H,46,48)(H,47,49)
InChIKeyPWUVDCBBTJUTLI-UHFFFAOYSA-N
MW676.78 g/mol
LogP10.36
Rot. Bonds8

About 2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one

2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one (PubChem CID 6617735) has the molecular formula C45H32N4O3 and a molecular weight of 676.78 g/mol. Its IUPAC name is 2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
PubChem CID6617735
Molecular FormulaC45H32N4O3
Molecular Weight676.78 g/mol
Exact Mass676.25
IUPAC Name2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
SMILESCOc1ccc(-c2nc(-c3ccc4c(c3)C(=O)c3cc(-c5nc(-c6ccc(OC)cc6)[nH]c5-c5ccccc5)ccc3-4)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C45H32N4O3/c1-51-33-19-13-29(14-20-33)44-46-39(27-9-5-3-6-10-27)41(48-44)31-17-23-35-36-24-18-32(26-38(36)43(50)37(35)25-31)42-40(28-11-7-4-8-12-28)47-45(49-42)30-15-21-34(52-2)22-16-30/h3-26H,1-2H3,(H,46,48)(H,47,49)
InChIKeyPWUVDCBBTJUTLI-UHFFFAOYSA-N
XLogP10.36
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.78
LogP ≤ 510.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
CID 135420505
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
CID 3112521
2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole
CID 3106630
[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495721
2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 1036272
4-[4-[6-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]-9-oxofluoren-3-yl]-5-phenyl-1H-imidazol-2-yl]benzaldehyde
CID 136507140
2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135537331
4-[4-(7-nitro-9-oxofluoren-2-yl)-5-phenyl-1H-imidazol-2-yl]benzoate
CID 4217920
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
3-[2-(3-chlorophenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
CID 135498143

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one?
The IUPAC name of 2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one (CID 6617735) is 2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one.
What is the SMILES notation for 2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one?
The canonical SMILES for 2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one is COc1ccc(-c2nc(-c3ccc4c(c3)C(=O)c3cc(-c5nc(-c6ccc(OC)cc6)[nH]c5-c5ccccc5)ccc3-4)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one?
The InChIKey is PWUVDCBBTJUTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4O3/c1-51-33-19-13-29(14-20-33)44-46-39(27-9-5-3-6-10-27)41(48-44)31-17-23-35-36-24-18-32(26-38(36)43(50)37(35)25-31)42-40(28-11-7-4-8-12-28)47-45(49-42)30-15-21-34(52-2)22-16-30/h3-26H,1-2H3,(H,46,48)(H,47,49).
What are the key properties of 2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one?
2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one has a molecular weight of 676.78 g/mol, XLogP of 10.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one is sourced from PubChem (CID 6617735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).