12,12-diphenyldodecyl phenyl hydrogen phosphite

C30H39O3P — CID 70542375

IUPAC12,12-diphenyldodecyl phenyl hydrogen phosphite
SMILESOP(OCCCCCCCCCCCC(c1ccccc1)c1ccccc1)Oc1ccccc1
InChIInChI=1S/C30H39O3P/c31-34(33-29-23-15-10-16-24-29)32-26-18-7-5-3-1-2-4-6-17-25-30(27-19-11-8-12-20-27)28-21-13-9-14-22-28/h8-16,19-24,30-31H,1-7,17-18,25-26H2
InChIKeyWXWJMIDDKOUKHJ-UHFFFAOYSA-N
MW478.61 g/mol
LogP9.03
Rot. Bonds17

About 12,12-diphenyldodecyl phenyl hydrogen phosphite

12,12-diphenyldodecyl phenyl hydrogen phosphite (PubChem CID 70542375) has the molecular formula C30H39O3P and a molecular weight of 478.61 g/mol. Its IUPAC name is 12,12-diphenyldodecyl phenyl hydrogen phosphite.

Molecular Properties

Compound Name12,12-diphenyldodecyl phenyl hydrogen phosphite
PubChem CID70542375
Molecular FormulaC30H39O3P
Molecular Weight478.61 g/mol
Exact Mass478.26
IUPAC Name12,12-diphenyldodecyl phenyl hydrogen phosphite
SMILESOP(OCCCCCCCCCCCC(c1ccccc1)c1ccccc1)Oc1ccccc1
InChIInChI=1S/C30H39O3P/c31-34(33-29-23-15-10-16-24-29)32-26-18-7-5-3-1-2-4-6-17-25-30(27-19-11-8-12-20-27)28-21-13-9-14-22-28/h8-16,19-24,30-31H,1-7,17-18,25-26H2
InChIKeyWXWJMIDDKOUKHJ-UHFFFAOYSA-N
XLogP9.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.61
LogP ≤ 59.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

19,19-diphenylnonadecyl dihydrogen phosphite
CID 19792274
9,9-bis[2,4-di(nonyl)phenyl]nonyl phenyl hydrogen phosphite
CID 54511310
12,12-diphenyldodecyl(trihydroxy)phosphanium
CID 66694525
4-(5-phenoxy-1-phenylpentyl)pyridine
CID 117067769
6,6-diphenylhexyl dihydrogen phosphate
CID 139923067
8-methylnonyl phenyl phosphite
CID 154063362
10-phenyldodecyl dihydrogen phosphite
CID 154182802
bis(6-methylheptyl) hydrogen phosphite;1,2-xylene
CID 175467030
diphenyl hydrogen phosphite;ethanol
CID 159674253
sodium;bis(4,4-diphenylbutoxy)borinic acid;hydride
CID 173096252
8-dodecoxydodecyl diphenyl phosphite
CID 101311946
phenyl bis(12-tridecoxytridecyl) phosphite
CID 101311892

Frequently Asked Questions

What is the IUPAC name of 12,12-diphenyldodecyl phenyl hydrogen phosphite?
The IUPAC name of 12,12-diphenyldodecyl phenyl hydrogen phosphite (CID 70542375) is 12,12-diphenyldodecyl phenyl hydrogen phosphite.
What is the SMILES notation for 12,12-diphenyldodecyl phenyl hydrogen phosphite?
The canonical SMILES for 12,12-diphenyldodecyl phenyl hydrogen phosphite is OP(OCCCCCCCCCCCC(c1ccccc1)c1ccccc1)Oc1ccccc1.
What is the InChIKey of 12,12-diphenyldodecyl phenyl hydrogen phosphite?
The InChIKey is WXWJMIDDKOUKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39O3P/c31-34(33-29-23-15-10-16-24-29)32-26-18-7-5-3-1-2-4-6-17-25-30(27-19-11-8-12-20-27)28-21-13-9-14-22-28/h8-16,19-24,30-31H,1-7,17-18,25-26H2.
What are the key properties of 12,12-diphenyldodecyl phenyl hydrogen phosphite?
12,12-diphenyldodecyl phenyl hydrogen phosphite has a molecular weight of 478.61 g/mol, XLogP of 9.03, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-diphenyldodecyl phenyl hydrogen phosphite is sourced from PubChem (CID 70542375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).