CID 175904297

C24H21N3Na2 — CID 175904297

IUPAC—
SMILES[Na].[Na].c1ccc(Nc2cc(Nc3ccccc3)cc(Nc3ccccc3)c2)cc1
InChIInChI=1S/C24H21N3.2Na/c1-4-10-19(11-5-1)25-22-16-23(26-20-12-6-2-7-13-20)18-24(17-22)27-21-14-8-3-9-15-21;;/h1-18,25-27H;;
InChIKeySGKNHDDJBRLFRV-UHFFFAOYSA-N
MW397.43 g/mol
LogP6.16
Rot. Bonds6

About CID 175904297

CID 175904297 (PubChem CID 175904297) has the molecular formula C24H21N3Na2 and a molecular weight of 397.43 g/mol.

Molecular Properties

Compound NameCID 175904297
PubChem CID175904297
Molecular FormulaC24H21N3Na2
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC Name—
SMILES[Na].[Na].c1ccc(Nc2cc(Nc3ccccc3)cc(Nc3ccccc3)c2)cc1
InChIInChI=1S/C24H21N3.2Na/c1-4-10-19(11-5-1)25-22-16-23(26-20-12-6-2-7-13-20)18-24(17-22)27-21-14-8-3-9-15-21;;/h1-18,25-27H;;
InChIKeySGKNHDDJBRLFRV-UHFFFAOYSA-N
XLogP6.16
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.43
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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3-fluoro-N-phenylaniline
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CID 58389913
3-bromo-N-phenylaniline
CID 14958606
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4-iodo-N-phenylaniline
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Frequently Asked Questions

What is the IUPAC name of CID 175904297?
The IUPAC name of CID 175904297 (CID 175904297) is not available.
What is the SMILES notation for CID 175904297?
The canonical SMILES for CID 175904297 is [Na].[Na].c1ccc(Nc2cc(Nc3ccccc3)cc(Nc3ccccc3)c2)cc1.
What is the InChIKey of CID 175904297?
The InChIKey is SGKNHDDJBRLFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3.2Na/c1-4-10-19(11-5-1)25-22-16-23(26-20-12-6-2-7-13-20)18-24(17-22)27-21-14-8-3-9-15-21;;/h1-18,25-27H;;.
What are the key properties of CID 175904297?
CID 175904297 has a molecular weight of 397.43 g/mol, XLogP of 6.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175904297 is sourced from PubChem (CID 175904297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).