N-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine

C54H35N3 — CID 58121676

IUPACN-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(N(c2ccc3cc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)ccc3c2)c2ccccn2)nc1
InChIInChI=1S/C54H35N3/c1-3-13-38-32-44(23-19-36(38)11-1)53-47-15-5-6-16-48(47)54(45-24-20-37-12-2-4-14-39(37)33-45)50-35-43(26-28-49(50)53)40-21-22-42-34-46(27-25-41(42)31-40)57(51-17-7-9-29-55-51)52-18-8-10-30-56-52/h1-35H
InChIKeyGKTVYLHYIWTHBZ-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.71
Rot. Bonds6

About N-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine

N-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 58121676) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is N-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine
PubChem CID58121676
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC NameN-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(N(c2ccc3cc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)ccc3c2)c2ccccn2)nc1
InChIInChI=1S/C54H35N3/c1-3-13-38-32-44(23-19-36(38)11-1)53-47-15-5-6-16-48(47)54(45-24-20-37-12-2-4-14-39(37)33-45)50-35-43(26-28-49(50)53)40-21-22-42-34-46(27-25-41(42)31-40)57(51-17-7-9-29-55-51)52-18-8-10-30-56-52/h1-35H
InChIKeyGKTVYLHYIWTHBZ-UHFFFAOYSA-N
XLogP14.71
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 514.71
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-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine (CID 58121676) is N-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine is c1ccc(N(c2ccc3cc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)ccc3c2)c2ccccn2)nc1.
What is the InChIKey of N-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is GKTVYLHYIWTHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-3-13-38-32-44(23-19-36(38)11-1)53-47-15-5-6-16-48(47)54(45-24-20-37-12-2-4-14-39(37)33-45)50-35-43(26-28-49(50)53)40-21-22-42-34-46(27-25-41(42)31-40)57(51-17-7-9-29-55-51)52-18-8-10-30-56-52/h1-35H.
What are the key properties of N-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine?
N-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 725.90 g/mol, XLogP of 14.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 58121676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).