9-methylidenephosphanylcarbazol-3-amine

C13H11N2P — CID 163560303

IUPAC9-methylidenephosphanylcarbazol-3-amine
SMILESC=Pn1c2ccccc2c2cc(N)ccc21
InChIInChI=1S/C13H11N2P/c1-16-15-12-5-3-2-4-10(12)11-8-9(14)6-7-13(11)15/h2-8H,1,14H2
InChIKeyFQRGKABZRGQMHU-UHFFFAOYSA-N
MW226.22 g/mol
LogP3.52
Rot. Bonds1

About 9-methylidenephosphanylcarbazol-3-amine

9-methylidenephosphanylcarbazol-3-amine (PubChem CID 163560303) has the molecular formula C13H11N2P and a molecular weight of 226.22 g/mol. Its IUPAC name is 9-methylidenephosphanylcarbazol-3-amine.

Molecular Properties

Compound Name9-methylidenephosphanylcarbazol-3-amine
PubChem CID163560303
Molecular FormulaC13H11N2P
Molecular Weight226.22 g/mol
Exact Mass226.07
IUPAC Name9-methylidenephosphanylcarbazol-3-amine
SMILESC=Pn1c2ccccc2c2cc(N)ccc21
InChIInChI=1S/C13H11N2P/c1-16-15-12-5-3-2-4-10(12)11-8-9(14)6-7-13(11)15/h2-8H,1,14H2
InChIKeyFQRGKABZRGQMHU-UHFFFAOYSA-N
XLogP3.52
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methylidenephosphanylcarbazol-3-amine?
The IUPAC name of 9-methylidenephosphanylcarbazol-3-amine (CID 163560303) is 9-methylidenephosphanylcarbazol-3-amine.
What is the SMILES notation for 9-methylidenephosphanylcarbazol-3-amine?
The canonical SMILES for 9-methylidenephosphanylcarbazol-3-amine is C=Pn1c2ccccc2c2cc(N)ccc21.
What is the InChIKey of 9-methylidenephosphanylcarbazol-3-amine?
The InChIKey is FQRGKABZRGQMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N2P/c1-16-15-12-5-3-2-4-10(12)11-8-9(14)6-7-13(11)15/h2-8H,1,14H2.
What are the key properties of 9-methylidenephosphanylcarbazol-3-amine?
9-methylidenephosphanylcarbazol-3-amine has a molecular weight of 226.22 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylidenephosphanylcarbazol-3-amine is sourced from PubChem (CID 163560303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).