(Z)-2-[amino-[(6E)-2-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]-6-[(2E)-2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]amino]-1-[2,4-bis(trifluoromethyl)phenyl]ethenamine

C46H53F6N5 — CID 153396519

About (Z)-2-[amino-[(6E)-2-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]-6-[(2E)-2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]amino]-1-[2,4-bis(trifluoromethyl)phenyl]ethenamine

(Z)-2-[amino-[(6E)-2-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]-6-[(2E)-2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]amino]-1-[2,4-bis(trifluoromethyl)phenyl]ethenamine (PubChem CID 153396519) has the molecular formula C46H53F6N5 and a molecular weight of 789.95 g/mol. Its IUPAC name is (Z)-2-[amino-[(6E)-2-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]-6-[(2E)-2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]amino]-1-[2,4-bis(trifluoromethyl)phenyl]ethenamine.

Molecular Properties

• Compound Name: (Z)-2-[amino-[(6E)-2-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]-6-[(2E)-2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]amino]-1-[2,4-bis(trifluoromethyl)phenyl]ethenamine
• PubChem CID: 153396519
• Molecular Formula: C46H53F6N5
• Molecular Weight: 789.95 g/mol
• Exact Mass: 789.42
• IUPAC Name: (Z)-2-[amino-[(6E)-2-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]-6-[(2E)-2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]amino]-1-[2,4-bis(trifluoromethyl)phenyl]ethenamine
• SMILES: CCCN1/C(=C/C=C2\CCCC(/C=C/C3N(CCC)c4ccccc4C3(C)C)=C2N(N)/C=C(\N)c2ccc(C(F)(F)F)cc2C(F)(F)F)C(C)(C)c2ccccc21
• InChI: InChI=1S/C46H53F6N5/c1-7-26-55-38-18-11-9-16-34(38)43(3,4)40(55)24-20-30-14-13-15-31(21-25-41-44(5,6)35-17-10-12-19-39(35)56(41)27-8-2)42(30)57(54)29-37(53)33-23-22-32(45(47,48)49)28-36(33)46(50,51)52/h9-12,16-25,28-29,40H,7-8,13-15,26-27,53-54H2,1-6H3/b24-20+,31-21+,37-29-,41-25+
• InChIKey: SSKZKKZHYHSJPF-LYQWWANASA-N
• XLogP: 11.75
• TPSA: 61.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.95
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino-[(6E)-2-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]-6-[(2E)-2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]amino]-1-[2,4-bis(trifluoromethyl)phenyl]ethenamine?

The IUPAC name of (Z)-2-[amino-[(6E)-2-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]-6-[(2E)-2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]amino]-1-[2,4-bis(trifluoromethyl)phenyl]ethenamine (CID 153396519) is (Z)-2-[amino-[(6E)-2-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]-6-[(2E)-2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]amino]-1-[2,4-bis(trifluoromethyl)phenyl]ethenamine.

What is the SMILES notation for (Z)-2-[amino-[(6E)-2-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]-6-[(2E)-2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]amino]-1-[2,4-bis(trifluoromethyl)phenyl]ethenamine?

The canonical SMILES for (Z)-2-[amino-[(6E)-2-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]-6-[(2E)-2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]amino]-1-[2,4-bis(trifluoromethyl)phenyl]ethenamine is CCCN1/C(=C/C=C2\CCCC(/C=C/C3N(CCC)c4ccccc4C3(C)C)=C2N(N)/C=C(\N)c2ccc(C(F)(F)F)cc2C(F)(F)F)C(C)(C)c2ccccc21.

What is the InChIKey of (Z)-2-[amino-[(6E)-2-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]-6-[(2E)-2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]amino]-1-[2,4-bis(trifluoromethyl)phenyl]ethenamine?

The InChIKey is SSKZKKZHYHSJPF-LYQWWANASA-N. The full InChI is InChI=1S/C46H53F6N5/c1-7-26-55-38-18-11-9-16-34(38)43(3,4)40(55)24-20-30-14-13-15-31(21-25-41-44(5,6)35-17-10-12-19-39(35)56(41)27-8-2)42(30)57(54)29-37(53)33-23-22-32(45(47,48)49)28-36(33)46(50,51)52/h9-12,16-25,28-29,40H,7-8,13-15,26-27,53-54H2,1-6H3/b24-20+,31-21+,37-29-,41-25+.

What are the key properties of (Z)-2-[amino-[(6E)-2-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]-6-[(2E)-2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]amino]-1-[2,4-bis(trifluoromethyl)phenyl]ethenamine?

(Z)-2-[amino-[(6E)-2-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]-6-[(2E)-2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]amino]-1-[2,4-bis(trifluoromethyl)phenyl]ethenamine has a molecular weight of 789.95 g/mol, XLogP of 11.75, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-[amino-[(6E)-2-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]-6-[(2E)-2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]amino]-1-[2,4-bis(trifluoromethyl)phenyl]ethenamine is sourced from PubChem (CID 153396519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).