4-ethyl-N-(4-ethylphenyl)-N-[4-[[2-[4-[[4-[(4-ethylphenyl)-(4-methylphenyl)methyl]phenyl]methyl]-2-pyridinyl]-4-pyridinyl]methyl]phenyl]aniline

C56H53N3 — CID 58130115

IUPAC4-ethyl-N-(4-ethylphenyl)-N-[4-[[2-[4-[[4-[(4-ethylphenyl)-(4-methylphenyl)methyl]phenyl]methyl]-2-pyridinyl]-4-pyridinyl]methyl]phenyl]aniline
SMILESCCc1ccc(C(c2ccc(C)cc2)c2ccc(Cc3ccnc(-c4cc(Cc5ccc(N(c6ccc(CC)cc6)c6ccc(CC)cc6)cc5)ccn4)c3)cc2)cc1
InChIInChI=1S/C56H53N3/c1-5-41-10-22-49(23-11-41)56(48-20-8-40(4)9-21-48)50-24-12-44(13-25-50)36-46-32-34-57-54(38-46)55-39-47(33-35-58-55)37-45-18-30-53(31-19-45)59(51-26-14-42(6-2)15-27-51)52-28-16-43(7-3)17-29-52/h8-35,38-39,56H,5-7,36-37H2,1-4H3
InChIKeyIMOOTIQKJKXNCN-UHFFFAOYSA-N
MW768.06 g/mol
LogP13.97
Rot. Bonds14

About 4-ethyl-N-(4-ethylphenyl)-N-[4-[[2-[4-[[4-[(4-ethylphenyl)-(4-methylphenyl)methyl]phenyl]methyl]-2-pyridinyl]-4-pyridinyl]methyl]phenyl]aniline

4-ethyl-N-(4-ethylphenyl)-N-[4-[[2-[4-[[4-[(4-ethylphenyl)-(4-methylphenyl)methyl]phenyl]methyl]-2-pyridinyl]-4-pyridinyl]methyl]phenyl]aniline (PubChem CID 58130115) has the molecular formula C56H53N3 and a molecular weight of 768.06 g/mol. Its IUPAC name is 4-ethyl-N-(4-ethylphenyl)-N-[4-[[2-[4-[[4-[(4-ethylphenyl)-(4-methylphenyl)methyl]phenyl]methyl]-2-pyridinyl]-4-pyridinyl]methyl]phenyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-(4-ethylphenyl)-N-[4-[[2-[4-[[4-[(4-ethylphenyl)-(4-methylphenyl)methyl]phenyl]methyl]-2-pyridinyl]-4-pyridinyl]methyl]phenyl]aniline
PubChem CID58130115
Molecular FormulaC56H53N3
Molecular Weight768.06 g/mol
Exact Mass767.42
IUPAC Name4-ethyl-N-(4-ethylphenyl)-N-[4-[[2-[4-[[4-[(4-ethylphenyl)-(4-methylphenyl)methyl]phenyl]methyl]-2-pyridinyl]-4-pyridinyl]methyl]phenyl]aniline
SMILESCCc1ccc(C(c2ccc(C)cc2)c2ccc(Cc3ccnc(-c4cc(Cc5ccc(N(c6ccc(CC)cc6)c6ccc(CC)cc6)cc5)ccn4)c3)cc2)cc1
InChIInChI=1S/C56H53N3/c1-5-41-10-22-49(23-11-41)56(48-20-8-40(4)9-21-48)50-24-12-44(13-25-50)36-46-32-34-57-54(38-46)55-39-47(33-35-58-55)37-45-18-30-53(31-19-45)59(51-26-14-42(6-2)15-27-51)52-28-16-43(7-3)17-29-52/h8-35,38-39,56H,5-7,36-37H2,1-4H3
InChIKeyIMOOTIQKJKXNCN-UHFFFAOYSA-N
XLogP13.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.06
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-ethylphenyl)-N-[4-[[2-[4-[[4-[(4-ethylphenyl)-(4-methylphenyl)methyl]phenyl]methyl]-2-pyridinyl]-4-pyridinyl]methyl]phenyl]aniline?
The IUPAC name of 4-ethyl-N-(4-ethylphenyl)-N-[4-[[2-[4-[[4-[(4-ethylphenyl)-(4-methylphenyl)methyl]phenyl]methyl]-2-pyridinyl]-4-pyridinyl]methyl]phenyl]aniline (CID 58130115) is 4-ethyl-N-(4-ethylphenyl)-N-[4-[[2-[4-[[4-[(4-ethylphenyl)-(4-methylphenyl)methyl]phenyl]methyl]-2-pyridinyl]-4-pyridinyl]methyl]phenyl]aniline.
What is the SMILES notation for 4-ethyl-N-(4-ethylphenyl)-N-[4-[[2-[4-[[4-[(4-ethylphenyl)-(4-methylphenyl)methyl]phenyl]methyl]-2-pyridinyl]-4-pyridinyl]methyl]phenyl]aniline?
The canonical SMILES for 4-ethyl-N-(4-ethylphenyl)-N-[4-[[2-[4-[[4-[(4-ethylphenyl)-(4-methylphenyl)methyl]phenyl]methyl]-2-pyridinyl]-4-pyridinyl]methyl]phenyl]aniline is CCc1ccc(C(c2ccc(C)cc2)c2ccc(Cc3ccnc(-c4cc(Cc5ccc(N(c6ccc(CC)cc6)c6ccc(CC)cc6)cc5)ccn4)c3)cc2)cc1.
What is the InChIKey of 4-ethyl-N-(4-ethylphenyl)-N-[4-[[2-[4-[[4-[(4-ethylphenyl)-(4-methylphenyl)methyl]phenyl]methyl]-2-pyridinyl]-4-pyridinyl]methyl]phenyl]aniline?
The InChIKey is IMOOTIQKJKXNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H53N3/c1-5-41-10-22-49(23-11-41)56(48-20-8-40(4)9-21-48)50-24-12-44(13-25-50)36-46-32-34-57-54(38-46)55-39-47(33-35-58-55)37-45-18-30-53(31-19-45)59(51-26-14-42(6-2)15-27-51)52-28-16-43(7-3)17-29-52/h8-35,38-39,56H,5-7,36-37H2,1-4H3.
What are the key properties of 4-ethyl-N-(4-ethylphenyl)-N-[4-[[2-[4-[[4-[(4-ethylphenyl)-(4-methylphenyl)methyl]phenyl]methyl]-2-pyridinyl]-4-pyridinyl]methyl]phenyl]aniline?
4-ethyl-N-(4-ethylphenyl)-N-[4-[[2-[4-[[4-[(4-ethylphenyl)-(4-methylphenyl)methyl]phenyl]methyl]-2-pyridinyl]-4-pyridinyl]methyl]phenyl]aniline has a molecular weight of 768.06 g/mol, XLogP of 13.97, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-ethylphenyl)-N-[4-[[2-[4-[[4-[(4-ethylphenyl)-(4-methylphenyl)methyl]phenyl]methyl]-2-pyridinyl]-4-pyridinyl]methyl]phenyl]aniline is sourced from PubChem (CID 58130115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).