1-phenyl-2,2-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine

C30H27N5 — CID 70142238

IUPAC1-phenyl-2,2-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine
SMILESc1ccc(C(C(c2ccccn2)c2ccccn2)N(Cc2ccccn2)Cc2ccccn2)cc1
InChIInChI=1S/C30H27N5/c1-2-12-24(13-3-1)30(29(27-16-6-10-20-33-27)28-17-7-11-21-34-28)35(22-25-14-4-8-18-31-25)23-26-15-5-9-19-32-26/h1-21,29-30H,22-23H2
InChIKeyRBCWNBJBPIUVRT-UHFFFAOYSA-N
MW457.58 g/mol
LogP5.84
Rot. Bonds9

About 1-phenyl-2,2-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine

1-phenyl-2,2-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine (PubChem CID 70142238) has the molecular formula C30H27N5 and a molecular weight of 457.58 g/mol. Its IUPAC name is 1-phenyl-2,2-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-phenyl-2,2-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine
PubChem CID70142238
Molecular FormulaC30H27N5
Molecular Weight457.58 g/mol
Exact Mass457.23
IUPAC Name1-phenyl-2,2-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine
SMILESc1ccc(C(C(c2ccccn2)c2ccccn2)N(Cc2ccccn2)Cc2ccccn2)cc1
InChIInChI=1S/C30H27N5/c1-2-12-24(13-3-1)30(29(27-16-6-10-20-33-27)28-17-7-11-21-34-28)35(22-25-14-4-8-18-31-25)23-26-15-5-9-19-32-26/h1-21,29-30H,22-23H2
InChIKeyRBCWNBJBPIUVRT-UHFFFAOYSA-N
XLogP5.84
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.58
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 177492952
N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 101339503
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
(2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol
CID 11741478
2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328653
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride
CID 25264863
CID 88902013
CID 88902013
2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid
CID 83049481
N-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 71931375

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2,2-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 1-phenyl-2,2-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine (CID 70142238) is 1-phenyl-2,2-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-phenyl-2,2-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-phenyl-2,2-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine is c1ccc(C(C(c2ccccn2)c2ccccn2)N(Cc2ccccn2)Cc2ccccn2)cc1.
What is the InChIKey of 1-phenyl-2,2-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine?
The InChIKey is RBCWNBJBPIUVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5/c1-2-12-24(13-3-1)30(29(27-16-6-10-20-33-27)28-17-7-11-21-34-28)35(22-25-14-4-8-18-31-25)23-26-15-5-9-19-32-26/h1-21,29-30H,22-23H2.
What are the key properties of 1-phenyl-2,2-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine?
1-phenyl-2,2-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine has a molecular weight of 457.58 g/mol, XLogP of 5.84, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,2-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 70142238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).