3-[2-(3-chlorophenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one

C43H26Cl2N4O — CID 135498143

IUPAC3-[2-(3-chlorophenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
SMILESO=C1c2ccc(-c3nc(-c4cccc(Cl)c4)[nH]c3-c3ccccc3)cc2-c2cc(-c3[nH]c(-c4cccc(Cl)c4)nc3-c3ccccc3)ccc21
InChIInChI=1S/C43H26Cl2N4O/c44-31-15-7-13-29(21-31)42-46-37(25-9-3-1-4-10-25)39(48-42)27-17-19-33-35(23-27)36-24-28(18-20-34(36)41(33)50)40-38(26-11-5-2-6-12-26)47-43(49-40)30-14-8-16-32(45)22-30/h1-24H,(H,46,48)(H,47,49)
InChIKeyAOUMBXJQWDFNFT-UHFFFAOYSA-N
MW685.61 g/mol
LogP11.65
Rot. Bonds6

About 3-[2-(3-chlorophenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one

3-[2-(3-chlorophenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one (PubChem CID 135498143) has the molecular formula C43H26Cl2N4O and a molecular weight of 685.61 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
PubChem CID135498143
Molecular FormulaC43H26Cl2N4O
Molecular Weight685.61 g/mol
Exact Mass684.15
IUPAC Name3-[2-(3-chlorophenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
SMILESO=C1c2ccc(-c3nc(-c4cccc(Cl)c4)[nH]c3-c3ccccc3)cc2-c2cc(-c3[nH]c(-c4cccc(Cl)c4)nc3-c3ccccc3)ccc21
InChIInChI=1S/C43H26Cl2N4O/c44-31-15-7-13-29(21-31)42-46-37(25-9-3-1-4-10-25)39(48-42)27-17-19-33-35(23-27)36-24-28(18-20-34(36)41(33)50)40-38(26-11-5-2-6-12-26)47-43(49-40)30-14-8-16-32(45)22-30/h1-24H,(H,46,48)(H,47,49)
InChIKeyAOUMBXJQWDFNFT-UHFFFAOYSA-N
XLogP11.65
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.61
LogP ≤ 511.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
CID 3112521
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
4-(3-chlorophenyl)-5-phenyl-2-[3-(2-phenylethynyl)phenyl]-1H-imidazole
CID 42536097
2-(4-chloro-3-nitrophenyl)-4-(3-chlorophenyl)-5-phenyl-1H-imidazole
CID 3796368
2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101728
2-[2-(2,4-dichlorophenyl)-5-phenyl-1H-imidazol-4-yl]-7-nitrofluoren-9-one
CID 3117023
2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
CID 6617735
4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine
CID 54172042
5-(4-chlorophenyl)-2-naphthalen-2-yl-4-phenyl-1H-imidazole
CID 138455379
2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole
CID 3114182
2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole
CID 135398995

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one?
The IUPAC name of 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) is 3-[2-(3-chlorophenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one.
What is the SMILES notation for 3-[2-(3-chlorophenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one?
The canonical SMILES for 3-[2-(3-chlorophenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one is O=C1c2ccc(-c3nc(-c4cccc(Cl)c4)[nH]c3-c3ccccc3)cc2-c2cc(-c3[nH]c(-c4cccc(Cl)c4)nc3-c3ccccc3)ccc21.
What is the InChIKey of 3-[2-(3-chlorophenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one?
The InChIKey is AOUMBXJQWDFNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26Cl2N4O/c44-31-15-7-13-29(21-31)42-46-37(25-9-3-1-4-10-25)39(48-42)27-17-19-33-35(23-27)36-24-28(18-20-34(36)41(33)50)40-38(26-11-5-2-6-12-26)47-43(49-40)30-14-8-16-32(45)22-30/h1-24H,(H,46,48)(H,47,49).
What are the key properties of 3-[2-(3-chlorophenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one?
3-[2-(3-chlorophenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one has a molecular weight of 685.61 g/mol, XLogP of 11.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one is sourced from PubChem (CID 135498143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).