N-[4-(fluoren-9-ylidenemethyl)phenyl]-N-phenylpyridin-2-amine

C31H22N2 — CID 20685684

IUPACN-[4-(fluoren-9-ylidenemethyl)phenyl]-N-phenylpyridin-2-amine
SMILESC(=C1c2ccccc2-c2ccccc21)c1ccc(N(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C31H22N2/c1-2-10-24(11-3-1)33(31-16-8-9-21-32-31)25-19-17-23(18-20-25)22-30-28-14-6-4-12-26(28)27-13-5-7-15-29(27)30/h1-22H
InChIKeyIUGSNDVVAYKUFV-UHFFFAOYSA-N
MW422.53 g/mol
LogP8.12
Rot. Bonds4

About N-[4-(fluoren-9-ylidenemethyl)phenyl]-N-phenylpyridin-2-amine

N-[4-(fluoren-9-ylidenemethyl)phenyl]-N-phenylpyridin-2-amine (PubChem CID 20685684) has the molecular formula C31H22N2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[4-(fluoren-9-ylidenemethyl)phenyl]-N-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-[4-(fluoren-9-ylidenemethyl)phenyl]-N-phenylpyridin-2-amine
PubChem CID20685684
Molecular FormulaC31H22N2
Molecular Weight422.53 g/mol
Exact Mass422.18
IUPAC NameN-[4-(fluoren-9-ylidenemethyl)phenyl]-N-phenylpyridin-2-amine
SMILESC(=C1c2ccccc2-c2ccccc21)c1ccc(N(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C31H22N2/c1-2-10-24(11-3-1)33(31-16-8-9-21-32-31)25-19-17-23(18-20-25)22-30-28-14-6-4-12-26(28)27-13-5-7-15-29(27)30/h1-22H
InChIKeyIUGSNDVVAYKUFV-UHFFFAOYSA-N
XLogP8.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(fluoren-9-ylidenemethyl)phenyl]-N-phenylpyridin-2-amine?
The IUPAC name of N-[4-(fluoren-9-ylidenemethyl)phenyl]-N-phenylpyridin-2-amine (CID 20685684) is N-[4-(fluoren-9-ylidenemethyl)phenyl]-N-phenylpyridin-2-amine.
What is the SMILES notation for N-[4-(fluoren-9-ylidenemethyl)phenyl]-N-phenylpyridin-2-amine?
The canonical SMILES for N-[4-(fluoren-9-ylidenemethyl)phenyl]-N-phenylpyridin-2-amine is C(=C1c2ccccc2-c2ccccc21)c1ccc(N(c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of N-[4-(fluoren-9-ylidenemethyl)phenyl]-N-phenylpyridin-2-amine?
The InChIKey is IUGSNDVVAYKUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2/c1-2-10-24(11-3-1)33(31-16-8-9-21-32-31)25-19-17-23(18-20-25)22-30-28-14-6-4-12-26(28)27-13-5-7-15-29(27)30/h1-22H.
What are the key properties of N-[4-(fluoren-9-ylidenemethyl)phenyl]-N-phenylpyridin-2-amine?
N-[4-(fluoren-9-ylidenemethyl)phenyl]-N-phenylpyridin-2-amine has a molecular weight of 422.53 g/mol, XLogP of 8.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(fluoren-9-ylidenemethyl)phenyl]-N-phenylpyridin-2-amine is sourced from PubChem (CID 20685684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).