CID 11705972

C26H19NP — CID 11705972

IUPAC—
SMILES[CH]1[CH][C](c2nccc3ccccc23)[C](P(c2ccccc2)c2ccccc2)[CH]1
InChIInChI=1S/C26H19NP/c1-3-11-21(12-4-1)28(22-13-5-2-6-14-22)25-17-9-16-24(25)26-23-15-8-7-10-20(23)18-19-27-26/h1-19H
InChIKeyQRVAVKUDNNSQPN-UHFFFAOYSA-N
MW376.42 g/mol
LogP5.45
Rot. Bonds4

About CID 11705972

CID 11705972 (PubChem CID 11705972) has the molecular formula C26H19NP and a molecular weight of 376.42 g/mol.

Molecular Properties

Compound NameCID 11705972
PubChem CID11705972
Molecular FormulaC26H19NP
Molecular Weight376.42 g/mol
Exact Mass376.13
IUPAC Name—
SMILES[CH]1[CH][C](c2nccc3ccccc23)[C](P(c2ccccc2)c2ccccc2)[CH]1
InChIInChI=1S/C26H19NP/c1-3-11-21(12-4-1)28(22-13-5-2-6-14-22)25-17-9-16-24(25)26-23-15-8-7-10-20(23)18-19-27-26/h1-19H
InChIKeyQRVAVKUDNNSQPN-UHFFFAOYSA-N
XLogP5.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.42
LogP ≤ 55.45
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 CID 11705972?
The IUPAC name of CID 11705972 (CID 11705972) is not available.
What is the SMILES notation for CID 11705972?
The canonical SMILES for CID 11705972 is [CH]1[CH][C](c2nccc3ccccc23)[C](P(c2ccccc2)c2ccccc2)[CH]1.
What is the InChIKey of CID 11705972?
The InChIKey is QRVAVKUDNNSQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NP/c1-3-11-21(12-4-1)28(22-13-5-2-6-14-22)25-17-9-16-24(25)26-23-15-8-7-10-20(23)18-19-27-26/h1-19H.
What are the key properties of CID 11705972?
CID 11705972 has a molecular weight of 376.42 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11705972 is sourced from PubChem (CID 11705972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).