3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine

C44H34N4 — CID 11606941

IUPAC3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine
SMILESc1ccc(-c2cc3ccccc3c(-c3c(NCc4ccccn4)c(-c4ccccc4)cc4ccccc34)c2NCc2ccccn2)cc1
InChIInChI=1S/C44H34N4/c1-3-15-31(16-4-1)39-27-33-19-7-9-23-37(33)41(43(39)47-29-35-21-11-13-25-45-35)42-38-24-10-8-20-34(38)28-40(32-17-5-2-6-18-32)44(42)48-30-36-22-12-14-26-46-36/h1-28,47-48H,29-30H2
InChIKeyUEDYPVYYCRKHRY-UHFFFAOYSA-N
MW618.78 g/mol
LogP11.01
Rot. Bonds9

About 3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine

3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine (PubChem CID 11606941) has the molecular formula C44H34N4 and a molecular weight of 618.78 g/mol. Its IUPAC name is 3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine.

Molecular Properties

Compound Name3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine
PubChem CID11606941
Molecular FormulaC44H34N4
Molecular Weight618.78 g/mol
Exact Mass618.28
IUPAC Name3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine
SMILESc1ccc(-c2cc3ccccc3c(-c3c(NCc4ccccn4)c(-c4ccccc4)cc4ccccc34)c2NCc2ccccn2)cc1
InChIInChI=1S/C44H34N4/c1-3-15-31(16-4-1)39-27-33-19-7-9-23-37(33)41(43(39)47-29-35-21-11-13-25-45-35)42-38-24-10-8-20-34(38)28-40(32-17-5-2-6-18-32)44(42)48-30-36-22-12-14-26-46-36/h1-28,47-48H,29-30H2
InChIKeyUEDYPVYYCRKHRY-UHFFFAOYSA-N
XLogP11.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.78
LogP ≤ 511.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine?
The IUPAC name of 3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine (CID 11606941) is 3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine.
What is the SMILES notation for 3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine?
The canonical SMILES for 3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine is c1ccc(-c2cc3ccccc3c(-c3c(NCc4ccccn4)c(-c4ccccc4)cc4ccccc34)c2NCc2ccccn2)cc1.
What is the InChIKey of 3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine?
The InChIKey is UEDYPVYYCRKHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N4/c1-3-15-31(16-4-1)39-27-33-19-7-9-23-37(33)41(43(39)47-29-35-21-11-13-25-45-35)42-38-24-10-8-20-34(38)28-40(32-17-5-2-6-18-32)44(42)48-30-36-22-12-14-26-46-36/h1-28,47-48H,29-30H2.
What are the key properties of 3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine?
3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine has a molecular weight of 618.78 g/mol, XLogP of 11.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine is sourced from PubChem (CID 11606941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).