6-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine

C44H42N4 — CID 90126676

IUPAC6-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2c3ccccc3c(-c3cccc(Nc4ccccn4)n3)c3ccccc23)cc1
InChIInChI=1S/C44H42N4/c1-43(2,3)30-21-25-32(26-22-30)48(33-27-23-31(24-28-33)44(4,5)6)42-36-16-9-7-14-34(36)41(35-15-8-10-17-37(35)42)38-18-13-20-40(46-38)47-39-19-11-12-29-45-39/h7-29H,1-6H3,(H,45,46,47)
InChIKeyMAPDPGXRFMWFKP-UHFFFAOYSA-N
MW626.85 g/mol
LogP12.26
Rot. Bonds6

About 6-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine

6-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 90126676) has the molecular formula C44H42N4 and a molecular weight of 626.85 g/mol. Its IUPAC name is 6-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name6-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine
PubChem CID90126676
Molecular FormulaC44H42N4
Molecular Weight626.85 g/mol
Exact Mass626.34
IUPAC Name6-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2c3ccccc3c(-c3cccc(Nc4ccccn4)n3)c3ccccc23)cc1
InChIInChI=1S/C44H42N4/c1-43(2,3)30-21-25-32(26-22-30)48(33-27-23-31(24-28-33)44(4,5)6)42-36-16-9-7-14-34(36)41(35-15-8-10-17-37(35)42)38-18-13-20-40(46-38)47-39-19-11-12-29-45-39/h7-29H,1-6H3,(H,45,46,47)
InChIKeyMAPDPGXRFMWFKP-UHFFFAOYSA-N
XLogP12.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.85
LogP ≤ 512.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 6-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine (CID 90126676) is 6-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 6-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 6-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2c3ccccc3c(-c3cccc(Nc4ccccn4)n3)c3ccccc23)cc1.
What is the InChIKey of 6-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is MAPDPGXRFMWFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N4/c1-43(2,3)30-21-25-32(26-22-30)48(33-27-23-31(24-28-33)44(4,5)6)42-36-16-9-7-14-34(36)41(35-15-8-10-17-37(35)42)38-18-13-20-40(46-38)47-39-19-11-12-29-45-39/h7-29H,1-6H3,(H,45,46,47).
What are the key properties of 6-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine?
6-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 626.85 g/mol, XLogP of 12.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 90126676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).