3,3,4,4-tetraphenylbut-1-ene-1,4-diamine

C28H26N2 — CID 150520725

IUPAC3,3,4,4-tetraphenylbut-1-ene-1,4-diamine
SMILESNC=CC(c1ccccc1)(c1ccccc1)C(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26N2/c29-22-21-27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)28(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H,29-30H2
InChIKeyIBTWWZGMEGWFLU-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.35
Rot. Bonds6

About 3,3,4,4-tetraphenylbut-1-ene-1,4-diamine

3,3,4,4-tetraphenylbut-1-ene-1,4-diamine (PubChem CID 150520725) has the molecular formula C28H26N2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 3,3,4,4-tetraphenylbut-1-ene-1,4-diamine.

Molecular Properties

Compound Name3,3,4,4-tetraphenylbut-1-ene-1,4-diamine
PubChem CID150520725
Molecular FormulaC28H26N2
Molecular Weight390.53 g/mol
Exact Mass390.21
IUPAC Name3,3,4,4-tetraphenylbut-1-ene-1,4-diamine
SMILESNC=CC(c1ccccc1)(c1ccccc1)C(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26N2/c29-22-21-27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)28(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H,29-30H2
InChIKeyIBTWWZGMEGWFLU-UHFFFAOYSA-N
XLogP5.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diphenylpropane-1,3-diamine
CID 22150718
4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione
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1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine
CID 67646967
magnesium;diphenylmethanediamine;hydride;hydrate
CID 174948742
1,1-diphenylethanamine
CID 12761172
1,1-diphenylpent-4-en-1-amine
CID 102295553
(E)-4,4,4-triphenylbut-2-enethial
CID 139757638
(1R)-1-iodo-1-phenylethanamine
CID 68727841
1,1-diphenylethane-1,2-diamine;platinum
CID 174501053
2,3-dimethyl-3-phenylbutan-2-amine
CID 54449592
1,1-diphenylethane-1,2-diamine;hydrochloride
CID 139989781
trifluoromethylbenzene;dihydrochloride
CID 171928889

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetraphenylbut-1-ene-1,4-diamine?
The IUPAC name of 3,3,4,4-tetraphenylbut-1-ene-1,4-diamine (CID 150520725) is 3,3,4,4-tetraphenylbut-1-ene-1,4-diamine.
What is the SMILES notation for 3,3,4,4-tetraphenylbut-1-ene-1,4-diamine?
The canonical SMILES for 3,3,4,4-tetraphenylbut-1-ene-1,4-diamine is NC=CC(c1ccccc1)(c1ccccc1)C(N)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3,4,4-tetraphenylbut-1-ene-1,4-diamine?
The InChIKey is IBTWWZGMEGWFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2/c29-22-21-27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)28(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H,29-30H2.
What are the key properties of 3,3,4,4-tetraphenylbut-1-ene-1,4-diamine?
3,3,4,4-tetraphenylbut-1-ene-1,4-diamine has a molecular weight of 390.53 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetraphenylbut-1-ene-1,4-diamine is sourced from PubChem (CID 150520725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).