(3Z)-2-N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-5-N-[(3Z)-5-[[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]amino]hexa-1,3,5-trien-2-yl]hexa-1,3,5-triene-2,5-diamine

C26H31F2N3 — CID 145210524

IUPAC(3Z)-2-N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-5-N-[(3Z)-5-[[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]amino]hexa-1,3,5-trien-2-yl]hexa-1,3,5-triene-2,5-diamine
SMILESC=C(F)/C=C\C(=C)CNC(=C)/C=C\C(=C)NC(=C)/C=C\C(=C)NCC(=C)/C=C\C(=C)F
InChIInChI=1S/C26H31F2N3/c1-19(9-11-21(3)27)17-29-23(5)13-15-25(7)31-26(8)16-14-24(6)30-18-20(2)10-12-22(4)28/h9-16,29-31H,1-8,17-18H2/b11-9-,12-10-,15-13-,16-14-
InChIKeyIYQWVLGFCHTUQN-LUHLCGLTSA-N
MW423.55 g/mol
LogP6.11
Rot. Bonds16

About (3Z)-2-N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-5-N-[(3Z)-5-[[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]amino]hexa-1,3,5-trien-2-yl]hexa-1,3,5-triene-2,5-diamine

(3Z)-2-N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-5-N-[(3Z)-5-[[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]amino]hexa-1,3,5-trien-2-yl]hexa-1,3,5-triene-2,5-diamine (PubChem CID 145210524) has the molecular formula C26H31F2N3 and a molecular weight of 423.55 g/mol. Its IUPAC name is (3Z)-2-N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-5-N-[(3Z)-5-[[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]amino]hexa-1,3,5-trien-2-yl]hexa-1,3,5-triene-2,5-diamine.

Molecular Properties

Compound Name(3Z)-2-N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-5-N-[(3Z)-5-[[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]amino]hexa-1,3,5-trien-2-yl]hexa-1,3,5-triene-2,5-diamine
PubChem CID145210524
Molecular FormulaC26H31F2N3
Molecular Weight423.55 g/mol
Exact Mass423.25
IUPAC Name(3Z)-2-N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-5-N-[(3Z)-5-[[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]amino]hexa-1,3,5-trien-2-yl]hexa-1,3,5-triene-2,5-diamine
SMILESC=C(F)/C=C\C(=C)CNC(=C)/C=C\C(=C)NC(=C)/C=C\C(=C)NCC(=C)/C=C\C(=C)F
InChIInChI=1S/C26H31F2N3/c1-19(9-11-21(3)27)17-29-23(5)13-15-25(7)31-26(8)16-14-24(6)30-18-20(2)10-12-22(4)28/h9-16,29-31H,1-8,17-18H2/b11-9-,12-10-,15-13-,16-14-
InChIKeyIYQWVLGFCHTUQN-LUHLCGLTSA-N
XLogP6.11
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.55
LogP ≤ 56.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z)-2-N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-5-N-[(3Z)-5-[[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]amino]hexa-1,3,5-trien-2-yl]hexa-1,3,5-triene-2,5-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-5-N-[(3Z)-5-[[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]amino]hexa-1,3,5-trien-2-yl]hexa-1,3,5-triene-2,5-diamine?
The IUPAC name of (3Z)-2-N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-5-N-[(3Z)-5-[[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]amino]hexa-1,3,5-trien-2-yl]hexa-1,3,5-triene-2,5-diamine (CID 145210524) is (3Z)-2-N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-5-N-[(3Z)-5-[[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]amino]hexa-1,3,5-trien-2-yl]hexa-1,3,5-triene-2,5-diamine.
What is the SMILES notation for (3Z)-2-N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-5-N-[(3Z)-5-[[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]amino]hexa-1,3,5-trien-2-yl]hexa-1,3,5-triene-2,5-diamine?
The canonical SMILES for (3Z)-2-N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-5-N-[(3Z)-5-[[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]amino]hexa-1,3,5-trien-2-yl]hexa-1,3,5-triene-2,5-diamine is C=C(F)/C=C\C(=C)CNC(=C)/C=C\C(=C)NC(=C)/C=C\C(=C)NCC(=C)/C=C\C(=C)F.
What is the InChIKey of (3Z)-2-N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-5-N-[(3Z)-5-[[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]amino]hexa-1,3,5-trien-2-yl]hexa-1,3,5-triene-2,5-diamine?
The InChIKey is IYQWVLGFCHTUQN-LUHLCGLTSA-N. The full InChI is InChI=1S/C26H31F2N3/c1-19(9-11-21(3)27)17-29-23(5)13-15-25(7)31-26(8)16-14-24(6)30-18-20(2)10-12-22(4)28/h9-16,29-31H,1-8,17-18H2/b11-9-,12-10-,15-13-,16-14-.
What are the key properties of (3Z)-2-N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-5-N-[(3Z)-5-[[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]amino]hexa-1,3,5-trien-2-yl]hexa-1,3,5-triene-2,5-diamine?
(3Z)-2-N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-5-N-[(3Z)-5-[[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]amino]hexa-1,3,5-trien-2-yl]hexa-1,3,5-triene-2,5-diamine has a molecular weight of 423.55 g/mol, XLogP of 6.11, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-5-N-[(3Z)-5-[[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]amino]hexa-1,3,5-trien-2-yl]hexa-1,3,5-triene-2,5-diamine is sourced from PubChem (CID 145210524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).