2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-hexa-1,3,5-trien-3-yl-5-phenylimidazol-2-yl]-4,5-diphenylimidazole

C42H30Cl2N4 — CID 123828020

IUPAC2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-hexa-1,3,5-trien-3-yl-5-phenylimidazol-2-yl]-4,5-diphenylimidazole
SMILESC=CC=C(C=C)C1=NC(c2ccccc2Cl)(n2c(-c3ccccc3Cl)nc(-c3ccccc3)c2-c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C42H30Cl2N4/c1-3-18-29(4-2)37-38(30-19-8-5-9-20-30)47-42(46-37,34-26-15-17-28-36(34)44)48-40(32-23-12-7-13-24-32)39(31-21-10-6-11-22-31)45-41(48)33-25-14-16-27-35(33)43/h3-28H,1-2H2
InChIKeyYWADTMISWRMXTM-UHFFFAOYSA-N
MW661.64 g/mol
LogP11.09
Rot. Bonds9

About 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-hexa-1,3,5-trien-3-yl-5-phenylimidazol-2-yl]-4,5-diphenylimidazole

2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-hexa-1,3,5-trien-3-yl-5-phenylimidazol-2-yl]-4,5-diphenylimidazole (PubChem CID 123828020) has the molecular formula C42H30Cl2N4 and a molecular weight of 661.64 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-hexa-1,3,5-trien-3-yl-5-phenylimidazol-2-yl]-4,5-diphenylimidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-hexa-1,3,5-trien-3-yl-5-phenylimidazol-2-yl]-4,5-diphenylimidazole
PubChem CID123828020
Molecular FormulaC42H30Cl2N4
Molecular Weight661.64 g/mol
Exact Mass660.18
IUPAC Name2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-hexa-1,3,5-trien-3-yl-5-phenylimidazol-2-yl]-4,5-diphenylimidazole
SMILESC=CC=C(C=C)C1=NC(c2ccccc2Cl)(n2c(-c3ccccc3Cl)nc(-c3ccccc3)c2-c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C42H30Cl2N4/c1-3-18-29(4-2)37-38(30-19-8-5-9-20-30)47-42(46-37,34-26-15-17-28-36(34)44)48-40(32-23-12-7-13-24-32)39(31-21-10-6-11-22-31)45-41(48)33-25-14-16-27-35(33)43/h3-28H,1-2H2
InChIKeyYWADTMISWRMXTM-UHFFFAOYSA-N
XLogP11.09
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.64
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-benzoylphenoxy)-2-hydroxyprop-1-enyl]-trimethylazanium;2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole;chloride;hydrate
CID 158641729
[4-[2,5-bis(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]imidazol-4-yl]-2-methoxyphenyl]methanol
CID 166512006
2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]imidazol-2-yl]-4,5-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]imidazole
CID 166739433
2-(2-chlorophenyl)-1-[3-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]propyl]-4,5-diphenylimidazole
CID 167337921
methyl 4-[1-[4,5-bis(4-methoxycarbonylphenyl)-2-(2-phenylphenyl)imidazol-2-yl]-5-(4-methoxycarbonylphenyl)-2-(2-phenylphenyl)imidazol-4-yl]benzoate
CID 22988977
2-[4-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-(3-methylbutoxy)phenyl]imidazol-2-yl]-5-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine
CID 161073436
2-(2-chlorophenyl)-1-(4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenylimidazole
CID 154439864
2-(2-chlorophenyl)-1-[1-(2-chlorophenyl)ethyl]-4,5-diphenylimidazole
CID 142084638
[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate
CID 150918707
(5S)-2'-(4,5-diphenylimidazol-2-ylidene)-2,3-diphenylspiro[imidazo[2,1-a]isoindole-5,1'-naphthalene]
CID 139041772
2,4,5-triphenyl-1-(2-phenylimidazol-2-yl)imidazole
CID 91123097
2,4,5-tris(2,4-dichlorophenyl)-1-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole
CID 87090048

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-hexa-1,3,5-trien-3-yl-5-phenylimidazol-2-yl]-4,5-diphenylimidazole?
The IUPAC name of 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-hexa-1,3,5-trien-3-yl-5-phenylimidazol-2-yl]-4,5-diphenylimidazole (CID 123828020) is 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-hexa-1,3,5-trien-3-yl-5-phenylimidazol-2-yl]-4,5-diphenylimidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-hexa-1,3,5-trien-3-yl-5-phenylimidazol-2-yl]-4,5-diphenylimidazole?
The canonical SMILES for 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-hexa-1,3,5-trien-3-yl-5-phenylimidazol-2-yl]-4,5-diphenylimidazole is C=CC=C(C=C)C1=NC(c2ccccc2Cl)(n2c(-c3ccccc3Cl)nc(-c3ccccc3)c2-c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-hexa-1,3,5-trien-3-yl-5-phenylimidazol-2-yl]-4,5-diphenylimidazole?
The InChIKey is YWADTMISWRMXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30Cl2N4/c1-3-18-29(4-2)37-38(30-19-8-5-9-20-30)47-42(46-37,34-26-15-17-28-36(34)44)48-40(32-23-12-7-13-24-32)39(31-21-10-6-11-22-31)45-41(48)33-25-14-16-27-35(33)43/h3-28H,1-2H2.
What are the key properties of 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-hexa-1,3,5-trien-3-yl-5-phenylimidazol-2-yl]-4,5-diphenylimidazole?
2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-hexa-1,3,5-trien-3-yl-5-phenylimidazol-2-yl]-4,5-diphenylimidazole has a molecular weight of 661.64 g/mol, XLogP of 11.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-hexa-1,3,5-trien-3-yl-5-phenylimidazol-2-yl]-4,5-diphenylimidazole is sourced from PubChem (CID 123828020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).