4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-hexylphenyl]methyl]-2-hexylphenyl]methyl]phenyl]methyl]aniline

C53H62N2 — CID 22919860

IUPAC4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-hexylphenyl]methyl]-2-hexylphenyl]methyl]phenyl]methyl]aniline
SMILESCCCCCCc1cc(Cc2ccc(Cc3ccc(Cc4ccc(N)cc4)cc3)c(CCCCCC)c2)ccc1Cc1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C53H62N2/c1-3-5-7-9-11-48-38-46(21-27-50(48)36-44-17-13-40(14-18-44)33-42-23-29-52(54)30-24-42)35-47-22-28-51(49(39-47)12-10-8-6-4-2)37-45-19-15-41(16-20-45)34-43-25-31-53(55)32-26-43/h13-32,38-39H,3-12,33-37,54-55H2,1-2H3
InChIKeyCIDUKIXPUWHRLF-UHFFFAOYSA-N
MW727.09 g/mol
LogP13.05
Rot. Bonds20

About 4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-hexylphenyl]methyl]-2-hexylphenyl]methyl]phenyl]methyl]aniline

4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-hexylphenyl]methyl]-2-hexylphenyl]methyl]phenyl]methyl]aniline (PubChem CID 22919860) has the molecular formula C53H62N2 and a molecular weight of 727.09 g/mol. Its IUPAC name is 4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-hexylphenyl]methyl]-2-hexylphenyl]methyl]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-hexylphenyl]methyl]-2-hexylphenyl]methyl]phenyl]methyl]aniline
PubChem CID22919860
Molecular FormulaC53H62N2
Molecular Weight727.09 g/mol
Exact Mass726.49
IUPAC Name4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-hexylphenyl]methyl]-2-hexylphenyl]methyl]phenyl]methyl]aniline
SMILESCCCCCCc1cc(Cc2ccc(Cc3ccc(Cc4ccc(N)cc4)cc3)c(CCCCCC)c2)ccc1Cc1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C53H62N2/c1-3-5-7-9-11-48-38-46(21-27-50(48)36-44-17-13-40(14-18-44)33-42-23-29-52(54)30-24-42)35-47-22-28-51(49(39-47)12-10-8-6-4-2)37-45-19-15-41(16-20-45)34-43-25-31-53(55)32-26-43/h13-32,38-39H,3-12,33-37,54-55H2,1-2H3
InChIKeyCIDUKIXPUWHRLF-UHFFFAOYSA-N
XLogP13.05
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.09
LogP ≤ 513.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-hexylphenyl]methyl]-2-hexylphenyl]methyl]phenyl]methyl]aniline with MolForge

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Related Compounds

4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-hexylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline
CID 22919912
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-octylphenyl]methyl]phenyl]methyl]phenyl]methyl]-2-octylphenyl]methyl]aniline
CID 22919852
4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-octylphenyl]methyl]phenyl]methyl]aniline
CID 18976677
4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-2-octylphenyl]methyl]-2-octylphenyl]methyl]phenyl]methyl]aniline
CID 22920658
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-2-octylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline
CID 22920512
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-2-octylphenyl]methyl]-3-octylphenyl]methyl]phenyl]methyl]aniline
CID 18976779
4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-hexylphenyl]hexyl]-3-hexylphenyl]methyl]aniline
CID 22920742
4-[[4-[16-[4-[(4-aminophenyl)methyl]-2-heptylphenyl]hexadecyl]-3-heptylphenyl]methyl]aniline
CID 22919252
4-[[4-[4-[4-[(4-aminophenyl)methyl]-2-hexylphenyl]butyl]-3-hexylphenyl]methyl]aniline
CID 22919150
4-[[4-[16-[4-[(4-aminophenyl)methyl]-2-hexylphenyl]hexadecyl]-3-hexylphenyl]methyl]aniline
CID 22920948
4-[[4-[17-[4-[(4-aminophenyl)methyl]-2-hexylphenyl]heptadecyl]-3-hexylphenyl]methyl]aniline
CID 22919371
4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline
CID 22921039

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-hexylphenyl]methyl]-2-hexylphenyl]methyl]phenyl]methyl]aniline?
The IUPAC name of 4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-hexylphenyl]methyl]-2-hexylphenyl]methyl]phenyl]methyl]aniline (CID 22919860) is 4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-hexylphenyl]methyl]-2-hexylphenyl]methyl]phenyl]methyl]aniline.
What is the SMILES notation for 4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-hexylphenyl]methyl]-2-hexylphenyl]methyl]phenyl]methyl]aniline?
The canonical SMILES for 4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-hexylphenyl]methyl]-2-hexylphenyl]methyl]phenyl]methyl]aniline is CCCCCCc1cc(Cc2ccc(Cc3ccc(Cc4ccc(N)cc4)cc3)c(CCCCCC)c2)ccc1Cc1ccc(Cc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-hexylphenyl]methyl]-2-hexylphenyl]methyl]phenyl]methyl]aniline?
The InChIKey is CIDUKIXPUWHRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H62N2/c1-3-5-7-9-11-48-38-46(21-27-50(48)36-44-17-13-40(14-18-44)33-42-23-29-52(54)30-24-42)35-47-22-28-51(49(39-47)12-10-8-6-4-2)37-45-19-15-41(16-20-45)34-43-25-31-53(55)32-26-43/h13-32,38-39H,3-12,33-37,54-55H2,1-2H3.
What are the key properties of 4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-hexylphenyl]methyl]-2-hexylphenyl]methyl]phenyl]methyl]aniline?
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-hexylphenyl]methyl]-2-hexylphenyl]methyl]phenyl]methyl]aniline has a molecular weight of 727.09 g/mol, XLogP of 13.05, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-hexylphenyl]methyl]-2-hexylphenyl]methyl]phenyl]methyl]aniline is sourced from PubChem (CID 22919860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).