hydroxy-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]phosphanium

C28H24OP+ — CID 129174509

IUPAChydroxy-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]phosphanium
SMILESC[P+](C)(O)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C28H24OP/c1-30(2,29)22-18-16-21(17-19-22)28-25-14-8-6-12-23(25)27(20-10-4-3-5-11-20)24-13-7-9-15-26(24)28/h3-19,29H,1-2H3/q+1
InChIKeyBZEBIXIOSRMNBF-UHFFFAOYSA-N
MW407.47 g/mol
LogP7.14
Rot. Bonds3

About hydroxy-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]phosphanium

hydroxy-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]phosphanium (PubChem CID 129174509) has the molecular formula C28H24OP+ and a molecular weight of 407.47 g/mol. Its IUPAC name is hydroxy-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]phosphanium.

Molecular Properties

Compound Namehydroxy-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]phosphanium
PubChem CID129174509
Molecular FormulaC28H24OP+
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Namehydroxy-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]phosphanium
SMILESC[P+](C)(O)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C28H24OP/c1-30(2,29)22-18-16-21(17-19-22)28-25-14-8-6-12-23(25)27(20-10-4-3-5-11-20)24-13-7-9-15-26(24)28/h3-19,29H,1-2H3/q+1
InChIKeyBZEBIXIOSRMNBF-UHFFFAOYSA-N
XLogP7.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(4-methylphenyl)-10-phenylanthracene
CID 631292
ethane;2-methylbutane;9-phenyl-10-(4-phenylphenyl)anthracene
CID 160542444
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 58602181
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164
9,10-diphenylanthracene;ethane;prop-1-ene
CID 90840257
9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene
CID 123974546
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
1,3,5-triphenyl-2,4,6-tri(propan-2-yl)benzene
CID 175984465

Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]phosphanium?
The IUPAC name of hydroxy-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]phosphanium (CID 129174509) is hydroxy-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]phosphanium.
What is the SMILES notation for hydroxy-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]phosphanium?
The canonical SMILES for hydroxy-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]phosphanium is C[P+](C)(O)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of hydroxy-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]phosphanium?
The InChIKey is BZEBIXIOSRMNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24OP/c1-30(2,29)22-18-16-21(17-19-22)28-25-14-8-6-12-23(25)27(20-10-4-3-5-11-20)24-13-7-9-15-26(24)28/h3-19,29H,1-2H3/q+1.
What are the key properties of hydroxy-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]phosphanium?
hydroxy-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]phosphanium has a molecular weight of 407.47 g/mol, XLogP of 7.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]phosphanium is sourced from PubChem (CID 129174509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).