7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline

C34H24IN — CID 170295713

IUPAC7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline
SMILESCc1ccc(-c2ccc(-c3cnc4cc(-c5ccc(-c6ccc(I)cc6)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C34H24IN/c1-23-2-4-24(5-3-23)25-8-12-29(13-9-25)32-20-31-15-14-30(21-34(31)36-22-32)28-10-6-26(7-11-28)27-16-18-33(35)19-17-27/h2-22H,1H3
InChIKeyCYMIMMKUXVNOAC-UHFFFAOYSA-N
MW573.48 g/mol
LogP9.82
Rot. Bonds4

About 7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline

7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline (PubChem CID 170295713) has the molecular formula C34H24IN and a molecular weight of 573.48 g/mol. Its IUPAC name is 7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline.

Molecular Properties

Compound Name7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline
PubChem CID170295713
Molecular FormulaC34H24IN
Molecular Weight573.48 g/mol
Exact Mass573.10
IUPAC Name7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline
SMILESCc1ccc(-c2ccc(-c3cnc4cc(-c5ccc(-c6ccc(I)cc6)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C34H24IN/c1-23-2-4-24(5-3-23)25-8-12-29(13-9-25)32-20-31-15-14-30(21-34(31)36-22-32)28-10-6-26(7-11-28)27-16-18-33(35)19-17-27/h2-22H,1H3
InChIKeyCYMIMMKUXVNOAC-UHFFFAOYSA-N
XLogP9.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.48
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline
CID 170294742
5-[7-(4-iodophenyl)naphthalen-2-yl]-2-(4-methylphenyl)pyridine
CID 170290982
7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline
CID 170294733
7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline
CID 170295226
3-(4-iodophenyl)phenanthridine
CID 144968877
trimethyl-[4-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]quinolin-7-yl]phenyl]phenyl]silane
CID 169293948
trimethyl-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]quinolin-7-yl]phenyl]silane
CID 169293955
4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline
CID 59012307
3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline
CID 170293992
[4-[5-[7-(3-chloro-5-methylphenyl)quinolin-3-yl]-2-pyridinyl]phenyl]-trimethylsilane
CID 174141182
3-(4-naphthalen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293864
3-(4-quinolin-3-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293562

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline?
The IUPAC name of 7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline (CID 170295713) is 7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline.
What is the SMILES notation for 7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline?
The canonical SMILES for 7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline is Cc1ccc(-c2ccc(-c3cnc4cc(-c5ccc(-c6ccc(I)cc6)cc5)ccc4c3)cc2)cc1.
What is the InChIKey of 7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline?
The InChIKey is CYMIMMKUXVNOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24IN/c1-23-2-4-24(5-3-23)25-8-12-29(13-9-25)32-20-31-15-14-30(21-34(31)36-22-32)28-10-6-26(7-11-28)27-16-18-33(35)19-17-27/h2-22H,1H3.
What are the key properties of 7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline?
7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline has a molecular weight of 573.48 g/mol, XLogP of 9.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline is sourced from PubChem (CID 170295713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).