4-(5-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-amine

C31H34FN — CID 70913239

IUPAC4-(5-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-amine
SMILESC[C@@]1(C2=C(NC3=CC=C(F)CC3)C=CC(C3C=CC=C(C4=CCCC=C4)C3)C2)C=CC=CC1
InChIInChI=1S/C31H34FN/c1-31(19-6-3-7-20-31)29-22-26(13-18-30(29)33-28-16-14-27(32)15-17-28)25-12-8-11-24(21-25)23-9-4-2-5-10-23/h3-4,6-14,16,18-19,25-26,33H,2,5,15,17,20-22H2,1H3/t25?,26?,31-/m1/s1
InChIKeyHRRHHJQZCGQNEK-FJGWTWLBSA-N
MW439.62 g/mol
LogP8.24
Rot. Bonds5

About 4-(5-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-amine

4-(5-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-amine (PubChem CID 70913239) has the molecular formula C31H34FN and a molecular weight of 439.62 g/mol. Its IUPAC name is 4-(5-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-(5-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-amine
PubChem CID70913239
Molecular FormulaC31H34FN
Molecular Weight439.62 g/mol
Exact Mass439.27
IUPAC Name4-(5-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-amine
SMILESC[C@@]1(C2=C(NC3=CC=C(F)CC3)C=CC(C3C=CC=C(C4=CCCC=C4)C3)C2)C=CC=CC1
InChIInChI=1S/C31H34FN/c1-31(19-6-3-7-20-31)29-22-26(13-18-30(29)33-28-16-14-27(32)15-17-28)25-12-8-11-24(21-25)23-9-4-2-5-10-23/h3-4,6-14,16,18-19,25-26,33H,2,5,15,17,20-22H2,1H3/t25?,26?,31-/m1/s1
InChIKeyHRRHHJQZCGQNEK-FJGWTWLBSA-N
XLogP8.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.62
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(5-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-(5-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-amine (CID 70913239) is 4-(5-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-(5-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-(5-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-amine is C[C@@]1(C2=C(NC3=CC=C(F)CC3)C=CC(C3C=CC=C(C4=CCCC=C4)C3)C2)C=CC=CC1.
What is the InChIKey of 4-(5-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-amine?
The InChIKey is HRRHHJQZCGQNEK-FJGWTWLBSA-N. The full InChI is InChI=1S/C31H34FN/c1-31(19-6-3-7-20-31)29-22-26(13-18-30(29)33-28-16-14-27(32)15-17-28)25-12-8-11-24(21-25)23-9-4-2-5-10-23/h3-4,6-14,16,18-19,25-26,33H,2,5,15,17,20-22H2,1H3/t25?,26?,31-/m1/s1.
What are the key properties of 4-(5-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-amine?
4-(5-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-amine has a molecular weight of 439.62 g/mol, XLogP of 8.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 70913239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).