4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline

C30H21IN4 — CID 170025602

IUPAC4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline
SMILESCc1nc(-c2ccccc2)c(-c2ccc(-c3cccc(-c4nc(I)c5ccccc5n4)c3)cc2)[nH]1
InChIInChI=1S/C30H21IN4/c1-19-32-27(21-8-3-2-4-9-21)28(33-19)22-16-14-20(15-17-22)23-10-7-11-24(18-23)30-34-26-13-6-5-12-25(26)29(31)35-30/h2-18H,1H3,(H,32,33)
InChIKeySEBCFDFDQBKVPP-UHFFFAOYSA-N
MW564.43 g/mol
LogP7.93
Rot. Bonds4

About 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline

4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline (PubChem CID 170025602) has the molecular formula C30H21IN4 and a molecular weight of 564.43 g/mol. Its IUPAC name is 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline.

Molecular Properties

Compound Name4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline
PubChem CID170025602
Molecular FormulaC30H21IN4
Molecular Weight564.43 g/mol
Exact Mass564.08
IUPAC Name4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline
SMILESCc1nc(-c2ccccc2)c(-c2ccc(-c3cccc(-c4nc(I)c5ccccc5n4)c3)cc2)[nH]1
InChIInChI=1S/C30H21IN4/c1-19-32-27(21-8-3-2-4-9-21)28(33-19)22-16-14-20(15-17-22)23-10-7-11-24(18-23)30-34-26-13-6-5-12-25(26)29(31)35-30/h2-18H,1H3,(H,32,33)
InChIKeySEBCFDFDQBKVPP-UHFFFAOYSA-N
XLogP7.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.43
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
CID 144856190
1-[3-[4-[4-(3-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)-9H-carbazole
CID 126496171
22-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475063
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-(4-phenylphenyl)-9H-carbazole
CID 126492498
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 118345386
22-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475317
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 129023213
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline?
The IUPAC name of 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline (CID 170025602) is 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline.
What is the SMILES notation for 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline?
The canonical SMILES for 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline is Cc1nc(-c2ccccc2)c(-c2ccc(-c3cccc(-c4nc(I)c5ccccc5n4)c3)cc2)[nH]1.
What is the InChIKey of 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline?
The InChIKey is SEBCFDFDQBKVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21IN4/c1-19-32-27(21-8-3-2-4-9-21)28(33-19)22-16-14-20(15-17-22)23-10-7-11-24(18-23)30-34-26-13-6-5-12-25(26)29(31)35-30/h2-18H,1H3,(H,32,33).
What are the key properties of 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline?
4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline has a molecular weight of 564.43 g/mol, XLogP of 7.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline is sourced from PubChem (CID 170025602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).