N,N',N'-tris[(6-pyridin-2-yl-2-pyridinyl)methyl]-N-[(6-pyridin-3-yl-2-pyridinyl)methyl]ethane-1,2-diamine

C46H40N10 — CID 59780170

IUPACN,N',N'-tris[(6-pyridin-2-yl-2-pyridinyl)methyl]-N-[(6-pyridin-3-yl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESc1ccc(-c2cccc(CN(CCN(Cc3cccc(-c4ccccn4)n3)Cc3cccc(-c4ccccn4)n3)Cc3cccc(-c4cccnc4)n3)n2)nc1
InChIInChI=1S/C46H40N10/c1-4-25-48-41(17-1)44-21-8-14-37(52-44)32-55(31-36-13-7-20-40(51-36)35-12-11-24-47-30-35)28-29-56(33-38-15-9-22-45(53-38)42-18-2-5-26-49-42)34-39-16-10-23-46(54-39)43-19-3-6-27-50-43/h1-27,30H,28-29,31-34H2
InChIKeyPASOXZZLHNCIRP-UHFFFAOYSA-N
MW732.90 g/mol
LogP8.22
Rot. Bonds15

About N,N',N'-tris[(6-pyridin-2-yl-2-pyridinyl)methyl]-N-[(6-pyridin-3-yl-2-pyridinyl)methyl]ethane-1,2-diamine

N,N',N'-tris[(6-pyridin-2-yl-2-pyridinyl)methyl]-N-[(6-pyridin-3-yl-2-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 59780170) has the molecular formula C46H40N10 and a molecular weight of 732.90 g/mol. Its IUPAC name is N,N',N'-tris[(6-pyridin-2-yl-2-pyridinyl)methyl]-N-[(6-pyridin-3-yl-2-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N',N'-tris[(6-pyridin-2-yl-2-pyridinyl)methyl]-N-[(6-pyridin-3-yl-2-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID59780170
Molecular FormulaC46H40N10
Molecular Weight732.90 g/mol
Exact Mass732.34
IUPAC NameN,N',N'-tris[(6-pyridin-2-yl-2-pyridinyl)methyl]-N-[(6-pyridin-3-yl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESc1ccc(-c2cccc(CN(CCN(Cc3cccc(-c4ccccn4)n3)Cc3cccc(-c4ccccn4)n3)Cc3cccc(-c4cccnc4)n3)n2)nc1
InChIInChI=1S/C46H40N10/c1-4-25-48-41(17-1)44-21-8-14-37(52-44)32-55(31-36-13-7-20-40(51-36)35-12-11-24-47-30-35)28-29-56(33-38-15-9-22-45(53-38)42-18-2-5-26-49-42)34-39-16-10-23-46(54-39)43-19-3-6-27-50-43/h1-27,30H,28-29,31-34H2
InChIKeyPASOXZZLHNCIRP-UHFFFAOYSA-N
XLogP8.22
TPSA109.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.90
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N,N',N'-tris[(6-pyridin-2-yl-2-pyridinyl)methyl]-N-[(6-pyridin-3-yl-2-pyridinyl)methyl]ethane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 57459973
2-pyridin-3-ylpyridine;dihydrochloride
CID 67024611
2,6-dipyridin-3-ylpyridine
CID 13349632
N-[[6-[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 91221880
3-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenol
CID 132520123
2-pyridin-2-yl-5-(5-pyridin-3-yl-2-pyridinyl)pyridine
CID 100956208
2-(6-pyridin-3-yl-2-pyridinyl)acetonitrile
CID 71732783
2-(6-pyridin-3-yl-2-pyridinyl)acetic acid
CID 46316923
2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine
CID 101019648
2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine
CID 58090487
2,6-dipyridin-2-yl-4-[4-(3-pyridin-3-ylphenyl)phenyl]pyridine
CID 126730922
4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 163783283

Frequently Asked Questions

What is the IUPAC name of N,N',N'-tris[(6-pyridin-2-yl-2-pyridinyl)methyl]-N-[(6-pyridin-3-yl-2-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N',N'-tris[(6-pyridin-2-yl-2-pyridinyl)methyl]-N-[(6-pyridin-3-yl-2-pyridinyl)methyl]ethane-1,2-diamine (CID 59780170) is N,N',N'-tris[(6-pyridin-2-yl-2-pyridinyl)methyl]-N-[(6-pyridin-3-yl-2-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N',N'-tris[(6-pyridin-2-yl-2-pyridinyl)methyl]-N-[(6-pyridin-3-yl-2-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N',N'-tris[(6-pyridin-2-yl-2-pyridinyl)methyl]-N-[(6-pyridin-3-yl-2-pyridinyl)methyl]ethane-1,2-diamine is c1ccc(-c2cccc(CN(CCN(Cc3cccc(-c4ccccn4)n3)Cc3cccc(-c4ccccn4)n3)Cc3cccc(-c4cccnc4)n3)n2)nc1.
What is the InChIKey of N,N',N'-tris[(6-pyridin-2-yl-2-pyridinyl)methyl]-N-[(6-pyridin-3-yl-2-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is PASOXZZLHNCIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40N10/c1-4-25-48-41(17-1)44-21-8-14-37(52-44)32-55(31-36-13-7-20-40(51-36)35-12-11-24-47-30-35)28-29-56(33-38-15-9-22-45(53-38)42-18-2-5-26-49-42)34-39-16-10-23-46(54-39)43-19-3-6-27-50-43/h1-27,30H,28-29,31-34H2.
What are the key properties of N,N',N'-tris[(6-pyridin-2-yl-2-pyridinyl)methyl]-N-[(6-pyridin-3-yl-2-pyridinyl)methyl]ethane-1,2-diamine?
N,N',N'-tris[(6-pyridin-2-yl-2-pyridinyl)methyl]-N-[(6-pyridin-3-yl-2-pyridinyl)methyl]ethane-1,2-diamine has a molecular weight of 732.90 g/mol, XLogP of 8.22, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-tris[(6-pyridin-2-yl-2-pyridinyl)methyl]-N-[(6-pyridin-3-yl-2-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 59780170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).