(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-pyridin-2-ylethenamine

C43H54N6 — CID 153396539

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-pyridin-2-ylethenamine

(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-pyridin-2-ylethenamine (PubChem CID 153396539) has the molecular formula C43H54N6 and a molecular weight of 654.95 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-pyridin-2-ylethenamine.

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-pyridin-2-ylethenamine
• PubChem CID: 153396539
• Molecular Formula: C43H54N6
• Molecular Weight: 654.95 g/mol
• Exact Mass: 654.44
• 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-pyridin-2-ylethenamine
• SMILES: CCCN1/C(=C/C=C2\CCCC(/C=C/C3N(CCC)c4ccccc4C3(C)C)=C2N(N)/C=C(\N)c2ccccn2)C(C)(C)c2ccccc21
• InChI: InChI=1S/C43H54N6/c1-7-28-47-37-21-11-9-18-33(37)42(3,4)39(47)25-23-31-16-15-17-32(41(31)49(45)30-35(44)36-20-13-14-27-46-36)24-26-40-43(5,6)34-19-10-12-22-38(34)48(40)29-8-2/h9-14,18-27,30,39H,7-8,15-17,28-29,44-45H2,1-6H3/b25-23+,32-24+,35-30-,40-26+
• InChIKey: QXLMIEKWBBFFRE-YSVIUEKPSA-N
• XLogP: 9.10
• TPSA: 74.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.95
LogP ≤ 5	9.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-pyridin-2-ylethenamine?

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-pyridin-2-ylethenamine (CID 153396539) 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-pyridin-2-ylethenamine.

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-pyridin-2-ylethenamine?

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-pyridin-2-ylethenamine is CCCN1/C(=C/C=C2\CCCC(/C=C/C3N(CCC)c4ccccc4C3(C)C)=C2N(N)/C=C(\N)c2ccccn2)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-pyridin-2-ylethenamine?

The InChIKey is QXLMIEKWBBFFRE-YSVIUEKPSA-N. The full InChI is InChI=1S/C43H54N6/c1-7-28-47-37-21-11-9-18-33(37)42(3,4)39(47)25-23-31-16-15-17-32(41(31)49(45)30-35(44)36-20-13-14-27-46-36)24-26-40-43(5,6)34-19-10-12-22-38(34)48(40)29-8-2/h9-14,18-27,30,39H,7-8,15-17,28-29,44-45H2,1-6H3/b25-23+,32-24+,35-30-,40-26+.

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-pyridin-2-ylethenamine?

(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-pyridin-2-ylethenamine has a molecular weight of 654.95 g/mol, XLogP of 9.10, 10 rotatable bonds, 2 hydrogen bond donors, and 6 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-pyridin-2-ylethenamine is sourced from PubChem (CID 153396539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).