N-[2-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]phenyl]-N-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-9,9'-spirobi[fluorene]-2-amine

C54H49N — CID 144663241

About N-[2-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]phenyl]-N-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-9,9'-spirobi[fluorene]-2-amine

N-[2-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]phenyl]-N-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 144663241) has the molecular formula C54H49N and a molecular weight of 711.99 g/mol. Its IUPAC name is N-[2-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]phenyl]-N-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: N-[2-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]phenyl]-N-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 144663241
• Molecular Formula: C54H49N
• Molecular Weight: 711.99 g/mol
• Exact Mass: 711.39
• IUPAC Name: N-[2-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]phenyl]-N-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-9,9'-spirobi[fluorene]-2-amine
• SMILES: C/C=C\C1=C(C)C(C)(C)c2cc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3C(/C=C\C)=C/C(C)C)ccc21
• InChI: InChI=1S/C54H49N/c1-8-18-37(32-35(3)4)41-20-13-17-27-52(41)55(38-28-30-45-40(19-9-2)36(5)53(6,7)50(45)33-38)39-29-31-46-44-23-12-16-26-49(44)54(51(46)34-39)47-24-14-10-21-42(47)43-22-11-15-25-48(43)54/h8-35H,1-7H3/b18-8-,19-9-,37-32+
• InChIKey: MFPJZSZVZGYAOU-ZLSNHDQOSA-N
• XLogP: 14.76
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.99
LogP ≤ 5	14.76
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 N-[2-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]phenyl]-N-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of N-[2-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]phenyl]-N-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-9,9'-spirobi[fluorene]-2-amine (CID 144663241) is N-[2-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]phenyl]-N-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for N-[2-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]phenyl]-N-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for N-[2-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]phenyl]-N-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-9,9'-spirobi[fluorene]-2-amine is C/C=C\C1=C(C)C(C)(C)c2cc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3C(/C=C\C)=C/C(C)C)ccc21.

What is the InChIKey of N-[2-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]phenyl]-N-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is MFPJZSZVZGYAOU-ZLSNHDQOSA-N. The full InChI is InChI=1S/C54H49N/c1-8-18-37(32-35(3)4)41-20-13-17-27-52(41)55(38-28-30-45-40(19-9-2)36(5)53(6,7)50(45)33-38)39-29-31-46-44-23-12-16-26-49(44)54(51(46)34-39)47-24-14-10-21-42(47)43-22-11-15-25-48(43)54/h8-35H,1-7H3/b18-8-,19-9-,37-32+.

What are the key properties of N-[2-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]phenyl]-N-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-9,9'-spirobi[fluorene]-2-amine?

N-[2-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]phenyl]-N-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 711.99 g/mol, XLogP of 14.76, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]phenyl]-N-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 144663241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).