(1E,6E)-4-(difluoromethylidene)-3-N,3-N,5-N,5-N-tetramethyl-1,7-diphenylhepta-1,6-diene-3,5-diamine

C24H28F2N2 — CID 101034524

IUPAC(1E,6E)-4-(difluoromethylidene)-3-N,3-N,5-N,5-N-tetramethyl-1,7-diphenylhepta-1,6-diene-3,5-diamine
SMILESCN(C)C(/C=C/c1ccccc1)C(=C(F)F)C(/C=C/c1ccccc1)N(C)C
InChIInChI=1S/C24H28F2N2/c1-27(2)21(17-15-19-11-7-5-8-12-19)23(24(25)26)22(28(3)4)18-16-20-13-9-6-10-14-20/h5-18,21-22H,1-4H3/b17-15+,18-16+
InChIKeyMFQPXBPQGUWKEP-YTEMWHBBSA-N
MW382.50 g/mol
LogP5.42
Rot. Bonds8

About (1E,6E)-4-(difluoromethylidene)-3-N,3-N,5-N,5-N-tetramethyl-1,7-diphenylhepta-1,6-diene-3,5-diamine

(1E,6E)-4-(difluoromethylidene)-3-N,3-N,5-N,5-N-tetramethyl-1,7-diphenylhepta-1,6-diene-3,5-diamine (PubChem CID 101034524) has the molecular formula C24H28F2N2 and a molecular weight of 382.50 g/mol. Its IUPAC name is (1E,6E)-4-(difluoromethylidene)-3-N,3-N,5-N,5-N-tetramethyl-1,7-diphenylhepta-1,6-diene-3,5-diamine.

Molecular Properties

Compound Name(1E,6E)-4-(difluoromethylidene)-3-N,3-N,5-N,5-N-tetramethyl-1,7-diphenylhepta-1,6-diene-3,5-diamine
PubChem CID101034524
Molecular FormulaC24H28F2N2
Molecular Weight382.50 g/mol
Exact Mass382.22
IUPAC Name(1E,6E)-4-(difluoromethylidene)-3-N,3-N,5-N,5-N-tetramethyl-1,7-diphenylhepta-1,6-diene-3,5-diamine
SMILESCN(C)C(/C=C/c1ccccc1)C(=C(F)F)C(/C=C/c1ccccc1)N(C)C
InChIInChI=1S/C24H28F2N2/c1-27(2)21(17-15-19-11-7-5-8-12-19)23(24(25)26)22(28(3)4)18-16-20-13-9-6-10-14-20/h5-18,21-22H,1-4H3/b17-15+,18-16+
InChIKeyMFQPXBPQGUWKEP-YTEMWHBBSA-N
XLogP5.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1E,6E)-4-(difluoromethylidene)-3-N,3-N,5-N,5-N-tetramethyl-1,7-diphenylhepta-1,6-diene-3,5-diamine with MolForge

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Related Compounds

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(E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol
CID 10797753
triphenyl-[(E)-2-phenylethenyl]phosphanium
CID 6332815

Frequently Asked Questions

What is the IUPAC name of (1E,6E)-4-(difluoromethylidene)-3-N,3-N,5-N,5-N-tetramethyl-1,7-diphenylhepta-1,6-diene-3,5-diamine?
The IUPAC name of (1E,6E)-4-(difluoromethylidene)-3-N,3-N,5-N,5-N-tetramethyl-1,7-diphenylhepta-1,6-diene-3,5-diamine (CID 101034524) is (1E,6E)-4-(difluoromethylidene)-3-N,3-N,5-N,5-N-tetramethyl-1,7-diphenylhepta-1,6-diene-3,5-diamine.
What is the SMILES notation for (1E,6E)-4-(difluoromethylidene)-3-N,3-N,5-N,5-N-tetramethyl-1,7-diphenylhepta-1,6-diene-3,5-diamine?
The canonical SMILES for (1E,6E)-4-(difluoromethylidene)-3-N,3-N,5-N,5-N-tetramethyl-1,7-diphenylhepta-1,6-diene-3,5-diamine is CN(C)C(/C=C/c1ccccc1)C(=C(F)F)C(/C=C/c1ccccc1)N(C)C.
What is the InChIKey of (1E,6E)-4-(difluoromethylidene)-3-N,3-N,5-N,5-N-tetramethyl-1,7-diphenylhepta-1,6-diene-3,5-diamine?
The InChIKey is MFQPXBPQGUWKEP-YTEMWHBBSA-N. The full InChI is InChI=1S/C24H28F2N2/c1-27(2)21(17-15-19-11-7-5-8-12-19)23(24(25)26)22(28(3)4)18-16-20-13-9-6-10-14-20/h5-18,21-22H,1-4H3/b17-15+,18-16+.
What are the key properties of (1E,6E)-4-(difluoromethylidene)-3-N,3-N,5-N,5-N-tetramethyl-1,7-diphenylhepta-1,6-diene-3,5-diamine?
(1E,6E)-4-(difluoromethylidene)-3-N,3-N,5-N,5-N-tetramethyl-1,7-diphenylhepta-1,6-diene-3,5-diamine has a molecular weight of 382.50 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,6E)-4-(difluoromethylidene)-3-N,3-N,5-N,5-N-tetramethyl-1,7-diphenylhepta-1,6-diene-3,5-diamine is sourced from PubChem (CID 101034524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).