2-iodo-4-(3-phenylphenyl)quinoline

C21H14IN — CID 145421858

IUPAC2-iodo-4-(3-phenylphenyl)quinoline
SMILESIc1cc(-c2cccc(-c3ccccc3)c2)c2ccccc2n1
InChIInChI=1S/C21H14IN/c22-21-14-19(18-11-4-5-12-20(18)23-21)17-10-6-9-16(13-17)15-7-2-1-3-8-15/h1-14H
InChIKeyUUIUMUQQRPFAFL-UHFFFAOYSA-N
MW407.25 g/mol
LogP6.17
Rot. Bonds2

About 2-iodo-4-(3-phenylphenyl)quinoline

2-iodo-4-(3-phenylphenyl)quinoline (PubChem CID 145421858) has the molecular formula C21H14IN and a molecular weight of 407.25 g/mol. Its IUPAC name is 2-iodo-4-(3-phenylphenyl)quinoline.

Molecular Properties

Compound Name2-iodo-4-(3-phenylphenyl)quinoline
PubChem CID145421858
Molecular FormulaC21H14IN
Molecular Weight407.25 g/mol
Exact Mass407.02
IUPAC Name2-iodo-4-(3-phenylphenyl)quinoline
SMILESIc1cc(-c2cccc(-c3ccccc3)c2)c2ccccc2n1
InChIInChI=1S/C21H14IN/c22-21-14-19(18-11-4-5-12-20(18)23-21)17-10-6-9-16(13-17)15-7-2-1-3-8-15/h1-14H
InChIKeyUUIUMUQQRPFAFL-UHFFFAOYSA-N
XLogP6.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.25
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(3-phenylphenyl)quinoxaline
CID 154589163
4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline
CID 126579083
2-phenyl-3-(3-phenylphenyl)quinoxaline
CID 175058958
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056561
2-[3-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 137393351
6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569122
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
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
6-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-1,3-diphenylbenzo[f]quinoline
CID 166569130
1-phenyl-3,6,8-tris(3-phenylphenyl)pyrene
CID 59391073

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-(3-phenylphenyl)quinoline?
The IUPAC name of 2-iodo-4-(3-phenylphenyl)quinoline (CID 145421858) is 2-iodo-4-(3-phenylphenyl)quinoline.
What is the SMILES notation for 2-iodo-4-(3-phenylphenyl)quinoline?
The canonical SMILES for 2-iodo-4-(3-phenylphenyl)quinoline is Ic1cc(-c2cccc(-c3ccccc3)c2)c2ccccc2n1.
What is the InChIKey of 2-iodo-4-(3-phenylphenyl)quinoline?
The InChIKey is UUIUMUQQRPFAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14IN/c22-21-14-19(18-11-4-5-12-20(18)23-21)17-10-6-9-16(13-17)15-7-2-1-3-8-15/h1-14H.
What are the key properties of 2-iodo-4-(3-phenylphenyl)quinoline?
2-iodo-4-(3-phenylphenyl)quinoline has a molecular weight of 407.25 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-(3-phenylphenyl)quinoline is sourced from PubChem (CID 145421858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).