2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole

C36H24I2N4 — CID 135398995

IUPAC2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole
SMILESIc1cccc(-c2nc(-c3ccc(-c4[nH]c(-c5cccc(I)c5)nc4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C36H24I2N4/c37-29-15-7-13-27(21-29)35-39-31(23-9-3-1-4-10-23)33(41-35)25-17-19-26(20-18-25)34-32(24-11-5-2-6-12-24)40-36(42-34)28-14-8-16-30(38)22-28/h1-22H,(H,39,41)(H,40,42)
InChIKeyRDUXSTPWCYSUDY-UHFFFAOYSA-N
MW766.42 g/mol
LogP10.34
Rot. Bonds6

About 2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole

2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole (PubChem CID 135398995) has the molecular formula C36H24I2N4 and a molecular weight of 766.42 g/mol. Its IUPAC name is 2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole
PubChem CID135398995
Molecular FormulaC36H24I2N4
Molecular Weight766.42 g/mol
Exact Mass766.01
IUPAC Name2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole
SMILESIc1cccc(-c2nc(-c3ccc(-c4[nH]c(-c5cccc(I)c5)nc4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C36H24I2N4/c37-29-15-7-13-27(21-29)35-39-31(23-9-3-1-4-10-23)33(41-35)25-17-19-26(20-18-25)34-32(24-11-5-2-6-12-24)40-36(42-34)28-14-8-16-30(38)22-28/h1-22H,(H,39,41)(H,40,42)
InChIKeyRDUXSTPWCYSUDY-UHFFFAOYSA-N
XLogP10.34
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.42
LogP ≤ 510.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
CID 3106847
2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
CID 3112521
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
4-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline
CID 3106878
2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole
CID 146679981
2-(8-methylnaphthalen-2-yl)-4,5-diphenyl-1H-imidazole
CID 139797871
5-(4-chlorophenyl)-2-naphthalen-2-yl-4-phenyl-1H-imidazole
CID 138455379
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
2-(4-bromo-3-nitrophenyl)-5-(4-iodophenyl)-4-phenyl-1H-imidazole
CID 3350004
4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline
CID 3106619
2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole
CID 102124708

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole?
The IUPAC name of 2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole (CID 135398995) is 2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole.
What is the SMILES notation for 2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole?
The canonical SMILES for 2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole is Ic1cccc(-c2nc(-c3ccc(-c4[nH]c(-c5cccc(I)c5)nc4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole?
The InChIKey is RDUXSTPWCYSUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24I2N4/c37-29-15-7-13-27(21-29)35-39-31(23-9-3-1-4-10-23)33(41-35)25-17-19-26(20-18-25)34-32(24-11-5-2-6-12-24)40-36(42-34)28-14-8-16-30(38)22-28/h1-22H,(H,39,41)(H,40,42).
What are the key properties of 2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole?
2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole has a molecular weight of 766.42 g/mol, XLogP of 10.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole is sourced from PubChem (CID 135398995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).