N-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-pyridin-2-ylpyridin-2-amine

C44H29N3 — CID 58121663

IUPACN-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(N(c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)c2ccccn2)nc1
InChIInChI=1S/C44H29N3/c1-3-13-32-27-34(21-19-30(32)11-1)43-37-15-5-6-16-38(37)44(35-22-20-31-12-2-4-14-33(31)28-35)40-29-36(23-24-39(40)43)47(41-17-7-9-25-45-41)42-18-8-10-26-46-42/h1-29H
InChIKeyZBUWGXIFCMLVPA-UHFFFAOYSA-N
MW599.74 g/mol
LogP11.89
Rot. Bonds5

About N-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-pyridin-2-ylpyridin-2-amine

N-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-pyridin-2-ylpyridin-2-amine (PubChem CID 58121663) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is N-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-pyridin-2-ylpyridin-2-amine
PubChem CID58121663
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC NameN-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(N(c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)c2ccccn2)nc1
InChIInChI=1S/C44H29N3/c1-3-13-32-27-34(21-19-30(32)11-1)43-37-15-5-6-16-38(37)44(35-22-20-31-12-2-4-14-33(31)28-35)40-29-36(23-24-39(40)43)47(41-17-7-9-25-45-41)42-18-8-10-26-46-42/h1-29H
InChIKeyZBUWGXIFCMLVPA-UHFFFAOYSA-N
XLogP11.89
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 511.89
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-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-pyridin-2-ylpyridin-2-amine (CID 58121663) is N-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-pyridin-2-ylpyridin-2-amine is c1ccc(N(c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)c2ccccn2)nc1.
What is the InChIKey of N-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is ZBUWGXIFCMLVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-3-13-32-27-34(21-19-30(32)11-1)43-37-15-5-6-16-38(37)44(35-22-20-31-12-2-4-14-33(31)28-35)40-29-36(23-24-39(40)43)47(41-17-7-9-25-45-41)42-18-8-10-26-46-42/h1-29H.
What are the key properties of N-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-pyridin-2-ylpyridin-2-amine?
N-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 599.74 g/mol, XLogP of 11.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 58121663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).