1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene

C27H20IOP — CID 153323496

IUPAC1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
SMILESO=P(c1ccc(CI)cc1)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C27H20IOP/c28-19-20-15-17-23(18-16-20)30(29,26-13-5-9-21-7-1-3-11-24(21)26)27-14-6-10-22-8-2-4-12-25(22)27/h1-18H,19H2
InChIKeyDJUUSUDFHDNOCS-UHFFFAOYSA-N
MW518.33 g/mol
LogP6.57
Rot. Bonds4

About 1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene

1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene (PubChem CID 153323496) has the molecular formula C27H20IOP and a molecular weight of 518.33 g/mol. Its IUPAC name is 1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene.

Molecular Properties

Compound Name1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
PubChem CID153323496
Molecular FormulaC27H20IOP
Molecular Weight518.33 g/mol
Exact Mass518.03
IUPAC Name1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
SMILESO=P(c1ccc(CI)cc1)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C27H20IOP/c28-19-20-15-17-23(18-16-20)30(29,26-13-5-9-21-7-1-3-11-24(21)26)27-14-6-10-22-8-2-4-12-25(22)27/h1-18H,19H2
InChIKeyDJUUSUDFHDNOCS-UHFFFAOYSA-N
XLogP6.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.33
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-diphenylphosphorylnaphthalene
CID 11023927
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863
2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901903
1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
CID 88865123
1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 46939365
1,5-bis(diphenylphosphoryl)anthracene
CID 88535905
2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 159396238
lithium dinaphthalen-1-ylphosphinate
CID 141248266
naphthalen-1-ylphosphonic acid;dihydrochloride
CID 175207516
1-[(3,5-difluorophenyl)-phenanthren-1-ylphosphoryl]phenanthrene
CID 137366974
2-dinaphthalen-1-ylphosphorylpyridine
CID 4586108

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene?
The IUPAC name of 1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene (CID 153323496) is 1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene.
What is the SMILES notation for 1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene?
The canonical SMILES for 1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene is O=P(c1ccc(CI)cc1)(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene?
The InChIKey is DJUUSUDFHDNOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20IOP/c28-19-20-15-17-23(18-16-20)30(29,26-13-5-9-21-7-1-3-11-24(21)26)27-14-6-10-22-8-2-4-12-25(22)27/h1-18H,19H2.
What are the key properties of 1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene?
1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene has a molecular weight of 518.33 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene is sourced from PubChem (CID 153323496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).