2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene

C24H23OP — CID 122593125

IUPAC2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene
SMILESCC(C)(C)P(=O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C24H23OP/c1-24(2,3)26(25,22-14-12-18-8-4-6-10-20(18)16-22)23-15-13-19-9-5-7-11-21(19)17-23/h4-17H,1-3H3
InChIKeyZMVPDQSQSXJWSZ-UHFFFAOYSA-N
MW358.42 g/mol
LogP6.11
Rot. Bonds2

About 2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene

2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene (PubChem CID 122593125) has the molecular formula C24H23OP and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene.

Molecular Properties

Compound Name2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene
PubChem CID122593125
Molecular FormulaC24H23OP
Molecular Weight358.42 g/mol
Exact Mass358.15
IUPAC Name2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene
SMILESCC(C)(C)P(=O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C24H23OP/c1-24(2,3)26(25,22-14-12-18-8-4-6-10-20(18)16-22)23-15-13-19-9-5-7-11-21(19)17-23/h4-17H,1-3H3
InChIKeyZMVPDQSQSXJWSZ-UHFFFAOYSA-N
XLogP6.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene?
The IUPAC name of 2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene (CID 122593125) is 2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene.
What is the SMILES notation for 2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene?
The canonical SMILES for 2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene is CC(C)(C)P(=O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene?
The InChIKey is ZMVPDQSQSXJWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23OP/c1-24(2,3)26(25,22-14-12-18-8-4-6-10-20(18)16-22)23-15-13-19-9-5-7-11-21(19)17-23/h4-17H,1-3H3.
What are the key properties of 2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene?
2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene has a molecular weight of 358.42 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene is sourced from PubChem (CID 122593125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).