N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

C27H23N3 — CID 10079224

IUPACN-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CN(Cc2ccccn2)Cc2c3ccccc3cc3ccccc23)nc1
InChIInChI=1S/C27H23N3/c1-3-13-25-21(9-1)17-22-10-2-4-14-26(22)27(25)20-30(18-23-11-5-7-15-28-23)19-24-12-6-8-16-29-24/h1-17H,18-20H2
InChIKeyAMDZJULAHPGTEZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.99
Rot. Bonds6

About N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 10079224) has the molecular formula C27H23N3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID10079224
Molecular FormulaC27H23N3
Molecular Weight389.50 g/mol
Exact Mass389.19
IUPAC NameN-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CN(Cc2ccccn2)Cc2c3ccccc3cc3ccccc23)nc1
InChIInChI=1S/C27H23N3/c1-3-13-25-21(9-1)17-22-10-2-4-14-26(22)27(25)20-30(18-23-11-5-7-15-28-23)19-24-12-6-8-16-29-24/h1-17H,18-20H2
InChIKeyAMDZJULAHPGTEZ-UHFFFAOYSA-N
XLogP5.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (CID 10079224) is N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is c1ccc(CN(Cc2ccccn2)Cc2c3ccccc3cc3ccccc23)nc1.
What is the InChIKey of N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is AMDZJULAHPGTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3/c1-3-13-25-21(9-1)17-22-10-2-4-14-26(22)27(25)20-30(18-23-11-5-7-15-28-23)19-24-12-6-8-16-29-24/h1-17H,18-20H2.
What are the key properties of N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 389.50 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 10079224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).