6-[10-(4-methoxy-N-(4-methoxyphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine

C38H30N4O2 — CID 90126701

IUPAC6-[10-(4-methoxy-N-(4-methoxyphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2c3ccccc3c(-c3cccc(Nc4ccccn4)n3)c3ccccc23)cc1
InChIInChI=1S/C38H30N4O2/c1-43-28-21-17-26(18-22-28)42(27-19-23-29(44-2)24-20-27)38-32-12-5-3-10-30(32)37(31-11-4-6-13-33(31)38)34-14-9-16-36(40-34)41-35-15-7-8-25-39-35/h3-25H,1-2H3,(H,39,40,41)
InChIKeyRVVFGYIXXFDXGD-UHFFFAOYSA-N
MW574.68 g/mol
LogP9.68
Rot. Bonds8

About 6-[10-(4-methoxy-N-(4-methoxyphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine

6-[10-(4-methoxy-N-(4-methoxyphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 90126701) has the molecular formula C38H30N4O2 and a molecular weight of 574.68 g/mol. Its IUPAC name is 6-[10-(4-methoxy-N-(4-methoxyphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name6-[10-(4-methoxy-N-(4-methoxyphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine
PubChem CID90126701
Molecular FormulaC38H30N4O2
Molecular Weight574.68 g/mol
Exact Mass574.24
IUPAC Name6-[10-(4-methoxy-N-(4-methoxyphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2c3ccccc3c(-c3cccc(Nc4ccccn4)n3)c3ccccc23)cc1
InChIInChI=1S/C38H30N4O2/c1-43-28-21-17-26(18-22-28)42(27-19-23-29(44-2)24-20-27)38-32-12-5-3-10-30(32)37(31-11-4-6-13-33(31)38)34-14-9-16-36(40-34)41-35-15-7-8-25-39-35/h3-25H,1-2H3,(H,39,40,41)
InChIKeyRVVFGYIXXFDXGD-UHFFFAOYSA-N
XLogP9.68
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 59.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 6-[10-(4-methoxy-N-(4-methoxyphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 6-[10-(4-methoxy-N-(4-methoxyphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine (CID 90126701) is 6-[10-(4-methoxy-N-(4-methoxyphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 6-[10-(4-methoxy-N-(4-methoxyphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 6-[10-(4-methoxy-N-(4-methoxyphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine is COc1ccc(N(c2ccc(OC)cc2)c2c3ccccc3c(-c3cccc(Nc4ccccn4)n3)c3ccccc23)cc1.
What is the InChIKey of 6-[10-(4-methoxy-N-(4-methoxyphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is RVVFGYIXXFDXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4O2/c1-43-28-21-17-26(18-22-28)42(27-19-23-29(44-2)24-20-27)38-32-12-5-3-10-30(32)37(31-11-4-6-13-33(31)38)34-14-9-16-36(40-34)41-35-15-7-8-25-39-35/h3-25H,1-2H3,(H,39,40,41).
What are the key properties of 6-[10-(4-methoxy-N-(4-methoxyphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine?
6-[10-(4-methoxy-N-(4-methoxyphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 574.68 g/mol, XLogP of 9.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(4-methoxy-N-(4-methoxyphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 90126701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).