[2,3-bis(2-methylphenyl)naphthalen-1-yl] phosphite

C24H19O3P-2 — CID 22399530

IUPAC[2,3-bis(2-methylphenyl)naphthalen-1-yl] phosphite
SMILESCc1ccccc1-c1cc2ccccc2c(OP([O-])[O-])c1-c1ccccc1C
InChIInChI=1S/C24H19O3P/c1-16-9-3-6-12-19(16)22-15-18-11-5-8-14-21(18)24(27-28(25)26)23(22)20-13-7-4-10-17(20)2/h3-15H,1-2H3/q-2
InChIKeyVOCFBFWTELDZGI-UHFFFAOYSA-N
MW386.39 g/mol
LogP5.12
Rot. Bonds4

About [2,3-bis(2-methylphenyl)naphthalen-1-yl] phosphite

[2,3-bis(2-methylphenyl)naphthalen-1-yl] phosphite (PubChem CID 22399530) has the molecular formula C24H19O3P-2 and a molecular weight of 386.39 g/mol. Its IUPAC name is [2,3-bis(2-methylphenyl)naphthalen-1-yl] phosphite.

Molecular Properties

Compound Name[2,3-bis(2-methylphenyl)naphthalen-1-yl] phosphite
PubChem CID22399530
Molecular FormulaC24H19O3P-2
Molecular Weight386.39 g/mol
Exact Mass386.11
IUPAC Name[2,3-bis(2-methylphenyl)naphthalen-1-yl] phosphite
SMILESCc1ccccc1-c1cc2ccccc2c(OP([O-])[O-])c1-c1ccccc1C
InChIInChI=1S/C24H19O3P/c1-16-9-3-6-12-19(16)22-15-18-11-5-8-14-21(18)24(27-28(25)26)23(22)20-13-7-4-10-17(20)2/h3-15H,1-2H3/q-2
InChIKeyVOCFBFWTELDZGI-UHFFFAOYSA-N
XLogP5.12
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.39
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
19-(2-methylphenyl)tridecacyclo[22.17.2.225,28.13,10.02,20.04,9.011,16.021,42.026,38.027,35.029,34.039,43.018,46]hexatetraconta-1(42),2,4,6,8,10(46),11,13,15,17,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene
CID 153466611
ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene
CID 91083814
9-(2-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123185164
tris[3,5-dimethyl-2,6-bis(2-methylphenyl)phenoxy]alumane
CID 23501597
1-[2-[2,3-bis(2-methylphenyl)anthracen-1-yl]phenyl]-N,N-dimethylmethanamine
CID 150537970
1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid
CID 67376724
5-methoxybenzo[b]fluoren-11-one
CID 10753817
3-methyl-4-(2-methylphenyl)phenanthrene
CID 145272616
1-(2-methylphenyl)-2-phenylnaphthalene
CID 101418577
13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 13440491
10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one
CID 118473639

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(2-methylphenyl)naphthalen-1-yl] phosphite?
The IUPAC name of [2,3-bis(2-methylphenyl)naphthalen-1-yl] phosphite (CID 22399530) is [2,3-bis(2-methylphenyl)naphthalen-1-yl] phosphite.
What is the SMILES notation for [2,3-bis(2-methylphenyl)naphthalen-1-yl] phosphite?
The canonical SMILES for [2,3-bis(2-methylphenyl)naphthalen-1-yl] phosphite is Cc1ccccc1-c1cc2ccccc2c(OP([O-])[O-])c1-c1ccccc1C.
What is the InChIKey of [2,3-bis(2-methylphenyl)naphthalen-1-yl] phosphite?
The InChIKey is VOCFBFWTELDZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19O3P/c1-16-9-3-6-12-19(16)22-15-18-11-5-8-14-21(18)24(27-28(25)26)23(22)20-13-7-4-10-17(20)2/h3-15H,1-2H3/q-2.
What are the key properties of [2,3-bis(2-methylphenyl)naphthalen-1-yl] phosphite?
[2,3-bis(2-methylphenyl)naphthalen-1-yl] phosphite has a molecular weight of 386.39 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(2-methylphenyl)naphthalen-1-yl] phosphite is sourced from PubChem (CID 22399530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).