ethane;N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3'-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine

C56H55N — CID 145331751

About ethane;N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3'-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine

ethane;N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3'-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine (PubChem CID 145331751) has the molecular formula C56H55N and a molecular weight of 742.06 g/mol. Its IUPAC name is ethane;N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3'-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine.

Molecular Properties

• Compound Name: ethane;N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3'-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
• PubChem CID: 145331751
• Molecular Formula: C56H55N
• Molecular Weight: 742.06 g/mol
• Exact Mass: 741.43
• IUPAC Name: ethane;N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3'-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
• SMILES: C=C/C=C\C(=C/C)c1ccccc1N(c1ccc2c(c1)C(C)(C)C(/C=C\C)=C2C=C)c1ccc2c(c1)C1(C(/C=C\C)=C(C)c3ccccc31)c1ccccc1-2.CC
• InChI: InChI=1S/C54H49N.C2H6/c1-9-14-23-37(12-4)42-25-17-20-29-52(42)55(38-30-32-44-40(13-5)47(22-11-3)53(7,8)50(44)34-38)39-31-33-45-43-26-16-19-28-49(43)54(51(45)35-39)46(21-10-2)36(6)41-24-15-18-27-48(41)54;1-2/h9-35H,1,5H2,2-4,6-8H3;1-2H3/b21-10-,22-11-,23-14-,37-12+
• InChIKey: PCWOPDPGPXEUMJ-CIDKNTLESA-N
• XLogP: 15.81
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.06
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3'-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine?

The IUPAC name of ethane;N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3'-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine (CID 145331751) is ethane;N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3'-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine.

What is the SMILES notation for ethane;N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3'-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine?

The canonical SMILES for ethane;N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3'-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine is C=C/C=C\C(=C/C)c1ccccc1N(c1ccc2c(c1)C(C)(C)C(/C=C\C)=C2C=C)c1ccc2c(c1)C1(C(/C=C\C)=C(C)c3ccccc31)c1ccccc1-2.CC.

What is the InChIKey of ethane;N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3'-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine?

The InChIKey is PCWOPDPGPXEUMJ-CIDKNTLESA-N. The full InChI is InChI=1S/C54H49N.C2H6/c1-9-14-23-37(12-4)42-25-17-20-29-52(42)55(38-30-32-44-40(13-5)47(22-11-3)53(7,8)50(44)34-38)39-31-33-45-43-26-16-19-28-49(43)54(51(45)35-39)46(21-10-2)36(6)41-24-15-18-27-48(41)54;1-2/h9-35H,1,5H2,2-4,6-8H3;1-2H3/b21-10-,22-11-,23-14-,37-12+;.

What are the key properties of ethane;N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3'-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine?

ethane;N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3'-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine has a molecular weight of 742.06 g/mol, XLogP of 15.81, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3'-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine is sourced from PubChem (CID 145331751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).