N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine

C50H33N3 — CID 58121636

IUPACN-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cccc6ccccc56)c4c3)cc2)c2ccccn2)nc1
InChIInChI=1S/C50H33N3/c1-3-17-39-35(13-1)15-11-21-41(39)49-43-19-5-6-20-44(43)50(42-22-12-16-36-14-2-4-18-40(36)42)46-33-37(27-30-45(46)49)34-25-28-38(29-26-34)53(47-23-7-9-31-51-47)48-24-8-10-32-52-48/h1-33H
InChIKeyPRTDSGCJIBRVMP-UHFFFAOYSA-N
MW675.84 g/mol
LogP13.56
Rot. Bonds6

About N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine

N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 58121636) has the molecular formula C50H33N3 and a molecular weight of 675.84 g/mol. Its IUPAC name is N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine
PubChem CID58121636
Molecular FormulaC50H33N3
Molecular Weight675.84 g/mol
Exact Mass675.27
IUPAC NameN-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cccc6ccccc56)c4c3)cc2)c2ccccn2)nc1
InChIInChI=1S/C50H33N3/c1-3-17-39-35(13-1)15-11-21-41(39)49-43-19-5-6-20-44(43)50(42-22-12-16-36-14-2-4-18-40(36)42)46-33-37(27-30-45(46)49)34-25-28-38(29-26-34)53(47-23-7-9-31-51-47)48-24-8-10-32-52-48/h1-33H
InChIKeyPRTDSGCJIBRVMP-UHFFFAOYSA-N
XLogP13.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.84
LogP ≤ 513.56
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-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine (CID 58121636) is N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine is c1ccc(N(c2ccc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cccc6ccccc56)c4c3)cc2)c2ccccn2)nc1.
What is the InChIKey of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is PRTDSGCJIBRVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3/c1-3-17-39-35(13-1)15-11-21-41(39)49-43-19-5-6-20-44(43)50(42-22-12-16-36-14-2-4-18-40(36)42)46-33-37(27-30-45(46)49)34-25-28-38(29-26-34)53(47-23-7-9-31-51-47)48-24-8-10-32-52-48/h1-33H.
What are the key properties of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine?
N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 675.84 g/mol, XLogP of 13.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 58121636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).