1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine

C54H57N — CID 70640715

IUPAC1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine
SMILESCCCC(N)CCc1ccc(/C=C/c2ccc(CCCc3ccc(/C=C/c4ccc(CCCc5ccc(/C=C/c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H57N/c1-2-8-54(55)42-41-53-39-37-52(38-40-53)36-35-51-31-22-47(23-32-51)14-7-13-46-20-29-50(30-21-46)34-33-49-27-18-45(19-28-49)12-6-11-44-16-25-48(26-17-44)24-15-43-9-4-3-5-10-43/h3-5,9-10,15-40,54H,2,6-8,11-14,41-42,55H2,1H3/b24-15+,34-33+,36-35+
InChIKeyYEIKBTZDMRAVID-KPIDYSDBSA-N
MW720.06 g/mol
LogP13.61
Rot. Bonds19

About 1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine

1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine (PubChem CID 70640715) has the molecular formula C54H57N and a molecular weight of 720.06 g/mol. Its IUPAC name is 1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine.

Molecular Properties

Compound Name1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine
PubChem CID70640715
Molecular FormulaC54H57N
Molecular Weight720.06 g/mol
Exact Mass719.45
IUPAC Name1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine
SMILESCCCC(N)CCc1ccc(/C=C/c2ccc(CCCc3ccc(/C=C/c4ccc(CCCc5ccc(/C=C/c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H57N/c1-2-8-54(55)42-41-53-39-37-52(38-40-53)36-35-51-31-22-47(23-32-51)14-7-13-46-20-29-50(30-21-46)34-33-49-27-18-45(19-28-49)12-6-11-44-16-25-48(26-17-44)24-15-43-9-4-3-5-10-43/h3-5,9-10,15-40,54H,2,6-8,11-14,41-42,55H2,1H3/b24-15+,34-33+,36-35+
InChIKeyYEIKBTZDMRAVID-KPIDYSDBSA-N
XLogP13.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.06
LogP ≤ 513.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine with MolForge

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Related Compounds

(3R)-1-phenylhexan-3-amine
CID 66612996
1-butyl-4-[(E)-2-phenylethenyl]benzene
CID 100931442
1-phenyloctan-4-amine
CID 79413314
1-(4-chlorophenyl)hexan-3-amine
CID 43370464
4-(4-aminoheptyl)aniline
CID 83928416
4-butyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-butylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 22900144
N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine
CID 170865314
1-pyridin-4-ylhexan-3-amine
CID 105080578
1-phenyl-5-N-(3-phenylpropyl)oct-1-ene-4,5-diamine
CID 90846973
4-pentyl-N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 134259379
1-phenylheptadec-1-en-6-amine;hydrochloride
CID 173236417
6-phenylhexane-1,4-diamine
CID 23163544

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine?
The IUPAC name of 1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine (CID 70640715) is 1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine.
What is the SMILES notation for 1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine?
The canonical SMILES for 1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine is CCCC(N)CCc1ccc(/C=C/c2ccc(CCCc3ccc(/C=C/c4ccc(CCCc5ccc(/C=C/c6ccccc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine?
The InChIKey is YEIKBTZDMRAVID-KPIDYSDBSA-N. The full InChI is InChI=1S/C54H57N/c1-2-8-54(55)42-41-53-39-37-52(38-40-53)36-35-51-31-22-47(23-32-51)14-7-13-46-20-29-50(30-21-46)34-33-49-27-18-45(19-28-49)12-6-11-44-16-25-48(26-17-44)24-15-43-9-4-3-5-10-43/h3-5,9-10,15-40,54H,2,6-8,11-14,41-42,55H2,1H3/b24-15+,34-33+,36-35+.
What are the key properties of 1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine?
1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine has a molecular weight of 720.06 g/mol, XLogP of 13.61, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine is sourced from PubChem (CID 70640715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).