N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine

C32H24N6 — CID 15477991

IUPACN-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccn4)c4ccccn4)cc3)cc2)c2ccccn2)nc1
InChIInChI=1S/C32H24N6/c1-5-21-33-29(9-1)37(30-10-2-6-22-34-30)27-17-13-25(14-18-27)26-15-19-28(20-16-26)38(31-11-3-7-23-35-31)32-12-4-8-24-36-32/h1-24H
InChIKeyMTCKZPUJYJYUCY-UHFFFAOYSA-N
MW492.59 g/mol
LogP7.87
Rot. Bonds7

About N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine

N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 15477991) has the molecular formula C32H24N6 and a molecular weight of 492.59 g/mol. Its IUPAC name is N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine
PubChem CID15477991
Molecular FormulaC32H24N6
Molecular Weight492.59 g/mol
Exact Mass492.21
IUPAC NameN-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccn4)c4ccccn4)cc3)cc2)c2ccccn2)nc1
InChIInChI=1S/C32H24N6/c1-5-21-33-29(9-1)37(30-10-2-6-22-34-30)27-17-13-25(14-18-27)26-15-19-28(20-16-26)38(31-11-3-7-23-35-31)32-12-4-8-24-36-32/h1-24H
InChIKeyMTCKZPUJYJYUCY-UHFFFAOYSA-N
XLogP7.87
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.59
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine (CID 15477991) is N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine is c1ccc(N(c2ccc(-c3ccc(N(c4ccccn4)c4ccccn4)cc3)cc2)c2ccccn2)nc1.
What is the InChIKey of N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is MTCKZPUJYJYUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N6/c1-5-21-33-29(9-1)37(30-10-2-6-22-34-30)27-17-13-25(14-18-27)26-15-19-28(20-16-26)38(31-11-3-7-23-35-31)32-12-4-8-24-36-32/h1-24H.
What are the key properties of N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 492.59 g/mol, XLogP of 7.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 15477991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).