(6Z,8Z,9Z)-6,10-diamino-8-(aminomethylidene)-2-(5-fluoro-2-methylphenyl)-2-methyl-10-phenyl-4-(trifluoromethyl)deca-6,9-dien-4-ol

C26H31F4N3O — CID 143024505

IUPAC(6Z,8Z,9Z)-6,10-diamino-8-(aminomethylidene)-2-(5-fluoro-2-methylphenyl)-2-methyl-10-phenyl-4-(trifluoromethyl)deca-6,9-dien-4-ol
SMILESCc1ccc(F)cc1C(C)(C)CC(O)(C/C(N)=C/C(=C/N)/C=C(\N)c1ccccc1)C(F)(F)F
InChIInChI=1S/C26H31F4N3O/c1-17-9-10-20(27)13-22(17)24(2,3)16-25(34,26(28,29)30)14-21(32)11-18(15-31)12-23(33)19-7-5-4-6-8-19/h4-13,15,34H,14,16,31-33H2,1-3H3/b18-15-,21-11-,23-12-
InChIKeyHWSRRYOJTIWNFK-ZFNSLSBMSA-N
MW477.55 g/mol
LogP5.17
Rot. Bonds8

About (6Z,8Z,9Z)-6,10-diamino-8-(aminomethylidene)-2-(5-fluoro-2-methylphenyl)-2-methyl-10-phenyl-4-(trifluoromethyl)deca-6,9-dien-4-ol

(6Z,8Z,9Z)-6,10-diamino-8-(aminomethylidene)-2-(5-fluoro-2-methylphenyl)-2-methyl-10-phenyl-4-(trifluoromethyl)deca-6,9-dien-4-ol (PubChem CID 143024505) has the molecular formula C26H31F4N3O and a molecular weight of 477.55 g/mol. Its IUPAC name is (6Z,8Z,9Z)-6,10-diamino-8-(aminomethylidene)-2-(5-fluoro-2-methylphenyl)-2-methyl-10-phenyl-4-(trifluoromethyl)deca-6,9-dien-4-ol.

Molecular Properties

Compound Name(6Z,8Z,9Z)-6,10-diamino-8-(aminomethylidene)-2-(5-fluoro-2-methylphenyl)-2-methyl-10-phenyl-4-(trifluoromethyl)deca-6,9-dien-4-ol
PubChem CID143024505
Molecular FormulaC26H31F4N3O
Molecular Weight477.55 g/mol
Exact Mass477.24
IUPAC Name(6Z,8Z,9Z)-6,10-diamino-8-(aminomethylidene)-2-(5-fluoro-2-methylphenyl)-2-methyl-10-phenyl-4-(trifluoromethyl)deca-6,9-dien-4-ol
SMILESCc1ccc(F)cc1C(C)(C)CC(O)(C/C(N)=C/C(=C/N)/C=C(\N)c1ccccc1)C(F)(F)F
InChIInChI=1S/C26H31F4N3O/c1-17-9-10-20(27)13-22(17)24(2,3)16-25(34,26(28,29)30)14-21(32)11-18(15-31)12-23(33)19-7-5-4-6-8-19/h4-13,15,34H,14,16,31-33H2,1-3H3/b18-15-,21-11-,23-12-
InChIKeyHWSRRYOJTIWNFK-ZFNSLSBMSA-N
XLogP5.17
TPSA98.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.55
LogP ≤ 55.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6Z,8Z,9Z)-6,10-diamino-8-(aminomethylidene)-2-(5-fluoro-2-methylphenyl)-2-methyl-10-phenyl-4-(trifluoromethyl)deca-6,9-dien-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6Z,8Z,9Z)-6,10-diamino-8-(aminomethylidene)-2-(5-fluoro-2-methylphenyl)-2-methyl-10-phenyl-4-(trifluoromethyl)deca-6,9-dien-4-ol?
The IUPAC name of (6Z,8Z,9Z)-6,10-diamino-8-(aminomethylidene)-2-(5-fluoro-2-methylphenyl)-2-methyl-10-phenyl-4-(trifluoromethyl)deca-6,9-dien-4-ol (CID 143024505) is (6Z,8Z,9Z)-6,10-diamino-8-(aminomethylidene)-2-(5-fluoro-2-methylphenyl)-2-methyl-10-phenyl-4-(trifluoromethyl)deca-6,9-dien-4-ol.
What is the SMILES notation for (6Z,8Z,9Z)-6,10-diamino-8-(aminomethylidene)-2-(5-fluoro-2-methylphenyl)-2-methyl-10-phenyl-4-(trifluoromethyl)deca-6,9-dien-4-ol?
The canonical SMILES for (6Z,8Z,9Z)-6,10-diamino-8-(aminomethylidene)-2-(5-fluoro-2-methylphenyl)-2-methyl-10-phenyl-4-(trifluoromethyl)deca-6,9-dien-4-ol is Cc1ccc(F)cc1C(C)(C)CC(O)(C/C(N)=C/C(=C/N)/C=C(\N)c1ccccc1)C(F)(F)F.
What is the InChIKey of (6Z,8Z,9Z)-6,10-diamino-8-(aminomethylidene)-2-(5-fluoro-2-methylphenyl)-2-methyl-10-phenyl-4-(trifluoromethyl)deca-6,9-dien-4-ol?
The InChIKey is HWSRRYOJTIWNFK-ZFNSLSBMSA-N. The full InChI is InChI=1S/C26H31F4N3O/c1-17-9-10-20(27)13-22(17)24(2,3)16-25(34,26(28,29)30)14-21(32)11-18(15-31)12-23(33)19-7-5-4-6-8-19/h4-13,15,34H,14,16,31-33H2,1-3H3/b18-15-,21-11-,23-12-.
What are the key properties of (6Z,8Z,9Z)-6,10-diamino-8-(aminomethylidene)-2-(5-fluoro-2-methylphenyl)-2-methyl-10-phenyl-4-(trifluoromethyl)deca-6,9-dien-4-ol?
(6Z,8Z,9Z)-6,10-diamino-8-(aminomethylidene)-2-(5-fluoro-2-methylphenyl)-2-methyl-10-phenyl-4-(trifluoromethyl)deca-6,9-dien-4-ol has a molecular weight of 477.55 g/mol, XLogP of 5.17, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z,9Z)-6,10-diamino-8-(aminomethylidene)-2-(5-fluoro-2-methylphenyl)-2-methyl-10-phenyl-4-(trifluoromethyl)deca-6,9-dien-4-ol is sourced from PubChem (CID 143024505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).