[3-iodo-4-[3-iodo-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane

C18H14I2P2 — CID 169258535

IUPAC[3-iodo-4-[3-iodo-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane
SMILESPc1ccc(-c2ccc(-c3ccc(P)cc3I)cc2I)cc1
InChIInChI=1S/C18H14I2P2/c19-17-9-12(16-8-6-14(22)10-18(16)20)3-7-15(17)11-1-4-13(21)5-2-11/h1-10H,21-22H2
InChIKeyIAHQCVOECMMKBC-UHFFFAOYSA-N
MW546.07 g/mol
LogP5.23
Rot. Bonds2

About [3-iodo-4-[3-iodo-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane

[3-iodo-4-[3-iodo-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane (PubChem CID 169258535) has the molecular formula C18H14I2P2 and a molecular weight of 546.07 g/mol. Its IUPAC name is [3-iodo-4-[3-iodo-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane.

Molecular Properties

Compound Name[3-iodo-4-[3-iodo-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane
PubChem CID169258535
Molecular FormulaC18H14I2P2
Molecular Weight546.07 g/mol
Exact Mass545.87
IUPAC Name[3-iodo-4-[3-iodo-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane
SMILESPc1ccc(-c2ccc(-c3ccc(P)cc3I)cc2I)cc1
InChIInChI=1S/C18H14I2P2/c19-17-9-12(16-8-6-14(22)10-18(16)20)3-7-15(17)11-1-4-13(21)5-2-11/h1-10H,21-22H2
InChIKeyIAHQCVOECMMKBC-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.07
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[3-fluoro-4-(4-phosphanylphenyl)phenyl]phosphane
CID 144647906
2-iodo-4-(2-methylphenyl)-1-phenylbenzene
CID 170132192
4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene
CID 144502966
[4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane
CID 126518534
[4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane
CID 170132292
[4-[4-(3,4-dimethylphenyl)-3-methylphenyl]phenyl]phosphane;bis([4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane);bis([4-[4-(3,4-dimethylphenyl)phenyl]-2-methylphenyl]phosphane);[4-[4-(2,4-dimethylphenyl)phenyl]phenyl]phosphane;[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]phosphane;[2-methyl-4-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]phosphane;[3-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]phosphane;[4-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]phosphane;[4-[3-methyl-4-(4-methylphenyl)phenyl]phenyl]phosphane
CID 159989978
2,3-diiodo-1-[3-iodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-methylbenzene
CID 144502130
4-[18-(4-phosphanylphenyl)-17-hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(22),2,4,6,8,10,12,14(21),15,17,19-undecaenyl]aniline
CID 143307767
4-[4-[[4-(4-cyanophenyl)-3-iodophenyl]methyl]-2-iodophenyl]benzonitrile
CID 134365859
1,2,4,5-tetrakis(4-iodophenyl)benzene
CID 68659626
3-bromo-7-(4-bromo-2-iodophenyl)dibenzothiophene
CID 154329399
1-iodo-2-(4-phenylphenyl)benzene
CID 12595491

Frequently Asked Questions

What is the IUPAC name of [3-iodo-4-[3-iodo-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane?
The IUPAC name of [3-iodo-4-[3-iodo-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane (CID 169258535) is [3-iodo-4-[3-iodo-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane.
What is the SMILES notation for [3-iodo-4-[3-iodo-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane?
The canonical SMILES for [3-iodo-4-[3-iodo-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane is Pc1ccc(-c2ccc(-c3ccc(P)cc3I)cc2I)cc1.
What is the InChIKey of [3-iodo-4-[3-iodo-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane?
The InChIKey is IAHQCVOECMMKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14I2P2/c19-17-9-12(16-8-6-14(22)10-18(16)20)3-7-15(17)11-1-4-13(21)5-2-11/h1-10H,21-22H2.
What are the key properties of [3-iodo-4-[3-iodo-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane?
[3-iodo-4-[3-iodo-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane has a molecular weight of 546.07 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-iodo-4-[3-iodo-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane is sourced from PubChem (CID 169258535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).