N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine

C54H35N3 — CID 58121674

IUPACN-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(N(c2ccc3cc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)ccc3c2)c2ccccn2)nc1
InChIInChI=1S/C54H35N3/c1-3-17-43-36(13-1)15-11-21-45(43)53-47-19-5-6-20-48(47)54(46-22-12-16-37-14-2-4-18-44(37)46)50-35-41(28-30-49(50)53)38-25-26-40-34-42(29-27-39(40)33-38)57(51-23-7-9-31-55-51)52-24-8-10-32-56-52/h1-35H
InChIKeySUBGRXWBMCMYAG-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.71
Rot. Bonds6

About N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine

N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 58121674) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine
PubChem CID58121674
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC NameN-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(N(c2ccc3cc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)ccc3c2)c2ccccn2)nc1
InChIInChI=1S/C54H35N3/c1-3-17-43-36(13-1)15-11-21-45(43)53-47-19-5-6-20-48(47)54(46-22-12-16-37-14-2-4-18-44(37)46)50-35-41(28-30-49(50)53)38-25-26-40-34-42(29-27-39(40)33-38)57(51-23-7-9-31-55-51)52-24-8-10-32-56-52/h1-35H
InChIKeySUBGRXWBMCMYAG-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-1-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine (CID 58121674) is N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine is c1ccc(N(c2ccc3cc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)ccc3c2)c2ccccn2)nc1.
What is the InChIKey of N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is SUBGRXWBMCMYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-3-17-43-36(13-1)15-11-21-45(43)53-47-19-5-6-20-48(47)54(46-22-12-16-37-14-2-4-18-44(37)46)50-35-41(28-30-49(50)53)38-25-26-40-34-42(29-27-39(40)33-38)57(51-23-7-9-31-55-51)52-24-8-10-32-56-52/h1-35H.
What are the key properties of N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine?
N-[6-(9,10-dinaphthalen-1-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-1-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 58121674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).