N-butyl-N-[1-[2-[4-[1-(dibutylamino)-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl]-2-phenylethenyl]butan-1-amine

C42H54N4 — CID 90703924

IUPACN-butyl-N-[1-[2-[4-[1-(dibutylamino)-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl]-2-phenylethenyl]butan-1-amine
SMILESCCCCN(CCCC)C(=Cc1ccccc1)c1ccnc(-c2cc(C(=Cc3ccccc3)N(CCCC)CCCC)ccn2)c1
InChIInChI=1S/C42H54N4/c1-5-9-27-45(28-10-6-2)41(31-35-19-15-13-16-20-35)37-23-25-43-39(33-37)40-34-38(24-26-44-40)42(32-36-21-17-14-18-22-36)46(29-11-7-3)30-12-8-4/h13-26,31-34H,5-12,27-30H2,1-4H3
InChIKeyAYNDANXFANUPGQ-UHFFFAOYSA-N
MW614.92 g/mol
LogP10.94
Rot. Bonds19

About N-butyl-N-[1-[2-[4-[1-(dibutylamino)-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl]-2-phenylethenyl]butan-1-amine

N-butyl-N-[1-[2-[4-[1-(dibutylamino)-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl]-2-phenylethenyl]butan-1-amine (PubChem CID 90703924) has the molecular formula C42H54N4 and a molecular weight of 614.92 g/mol. Its IUPAC name is N-butyl-N-[1-[2-[4-[1-(dibutylamino)-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl]-2-phenylethenyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[1-[2-[4-[1-(dibutylamino)-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl]-2-phenylethenyl]butan-1-amine
PubChem CID90703924
Molecular FormulaC42H54N4
Molecular Weight614.92 g/mol
Exact Mass614.43
IUPAC NameN-butyl-N-[1-[2-[4-[1-(dibutylamino)-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl]-2-phenylethenyl]butan-1-amine
SMILESCCCCN(CCCC)C(=Cc1ccccc1)c1ccnc(-c2cc(C(=Cc3ccccc3)N(CCCC)CCCC)ccn2)c1
InChIInChI=1S/C42H54N4/c1-5-9-27-45(28-10-6-2)41(31-35-19-15-13-16-20-35)37-23-25-43-39(33-37)40-34-38(24-26-44-40)42(32-36-21-17-14-18-22-36)46(29-11-7-3)30-12-8-4/h13-26,31-34H,5-12,27-30H2,1-4H3
InChIKeyAYNDANXFANUPGQ-UHFFFAOYSA-N
XLogP10.94
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.92
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5282443
(+-)-Dimethindene
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Triprolidine Hydrochloride Anhydrous
CID 5702129
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
2-(3-Phenylpropyl)Pyridine
CID 459494
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
2,3'-Bipyridine
CID 11389
4-(4-Dimethylaminostyryl)quinoline
CID 668053
2,3-Diphenylpyrazine
CID 243907

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[1-[2-[4-[1-(dibutylamino)-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl]-2-phenylethenyl]butan-1-amine?
The IUPAC name of N-butyl-N-[1-[2-[4-[1-(dibutylamino)-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl]-2-phenylethenyl]butan-1-amine (CID 90703924) is N-butyl-N-[1-[2-[4-[1-(dibutylamino)-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl]-2-phenylethenyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[1-[2-[4-[1-(dibutylamino)-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl]-2-phenylethenyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[1-[2-[4-[1-(dibutylamino)-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl]-2-phenylethenyl]butan-1-amine is CCCCN(CCCC)C(=Cc1ccccc1)c1ccnc(-c2cc(C(=Cc3ccccc3)N(CCCC)CCCC)ccn2)c1.
What is the InChIKey of N-butyl-N-[1-[2-[4-[1-(dibutylamino)-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl]-2-phenylethenyl]butan-1-amine?
The InChIKey is AYNDANXFANUPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H54N4/c1-5-9-27-45(28-10-6-2)41(31-35-19-15-13-16-20-35)37-23-25-43-39(33-37)40-34-38(24-26-44-40)42(32-36-21-17-14-18-22-36)46(29-11-7-3)30-12-8-4/h13-26,31-34H,5-12,27-30H2,1-4H3.
What are the key properties of N-butyl-N-[1-[2-[4-[1-(dibutylamino)-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl]-2-phenylethenyl]butan-1-amine?
N-butyl-N-[1-[2-[4-[1-(dibutylamino)-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl]-2-phenylethenyl]butan-1-amine has a molecular weight of 614.92 g/mol, XLogP of 10.94, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[1-[2-[4-[1-(dibutylamino)-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl]-2-phenylethenyl]butan-1-amine is sourced from PubChem (CID 90703924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).