N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine

C48H34N2O — CID 59308168

IUPACN-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
SMILESCOc1ccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c2ccccn2)cc1
InChIInChI=1S/C48H34N2O/c1-51-38-27-24-36(25-28-38)50(45-23-13-14-30-49-45)37-26-29-41-44(31-37)39-21-11-12-22-40(39)47-43(34-17-7-3-8-18-34)32-42(33-15-5-2-6-16-33)46(48(41)47)35-19-9-4-10-20-35/h2-32H,1H3
InChIKeyHOTSRAZJDYAZBG-UHFFFAOYSA-N
MW654.81 g/mol
LogP13.02
Rot. Bonds7

About N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine

N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine (PubChem CID 59308168) has the molecular formula C48H34N2O and a molecular weight of 654.81 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
PubChem CID59308168
Molecular FormulaC48H34N2O
Molecular Weight654.81 g/mol
Exact Mass654.27
IUPAC NameN-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
SMILESCOc1ccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c2ccccn2)cc1
InChIInChI=1S/C48H34N2O/c1-51-38-27-24-36(25-28-38)50(45-23-13-14-30-49-45)37-26-29-41-44(31-37)39-21-11-12-22-40(39)47-43(34-17-7-3-8-18-34)32-42(33-15-5-2-6-16-33)46(48(41)47)35-19-9-4-10-20-35/h2-32H,1H3
InChIKeyHOTSRAZJDYAZBG-UHFFFAOYSA-N
XLogP13.02
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.81
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine (CID 59308168) is N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine is COc1ccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c2ccccn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
The InChIKey is HOTSRAZJDYAZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O/c1-51-38-27-24-36(25-28-38)50(45-23-13-14-30-49-45)37-26-29-41-44(31-37)39-21-11-12-22-40(39)47-43(34-17-7-3-8-18-34)32-42(33-15-5-2-6-16-33)46(48(41)47)35-19-9-4-10-20-35/h2-32H,1H3.
What are the key properties of N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine has a molecular weight of 654.81 g/mol, XLogP of 13.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine is sourced from PubChem (CID 59308168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).