9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N-(4-phenylphenyl)-N-[3-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]fluoren-2-amine

C72H51NO — CID 155424049

About 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N-(4-phenylphenyl)-N-[3-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]fluoren-2-amine

9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N-(4-phenylphenyl)-N-[3-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]fluoren-2-amine (PubChem CID 155424049) has the molecular formula C72H51NO and a molecular weight of 946.21 g/mol. Its IUPAC name is 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N-(4-phenylphenyl)-N-[3-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N-(4-phenylphenyl)-N-[3-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]fluoren-2-amine
• PubChem CID: 155424049
• Molecular Formula: C72H51NO
• Molecular Weight: 946.21 g/mol
• Exact Mass: 945.40
• IUPAC Name: 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N-(4-phenylphenyl)-N-[3-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]fluoren-2-amine
• SMILES: C=C/C=C(\C=C/C)C1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5oc6c7ccccc7c(-c7cccc(-c8ccccc8)c7)cc6c45)c3)cc21
• InChI: InChI=1S/C72H51NO/c1-3-21-55(22-4-2)72(56-30-12-7-13-31-56)67-37-17-16-34-62(67)63-44-43-59(47-68(63)72)73(57-41-39-51(40-42-57)49-23-8-5-9-24-49)58-32-19-29-54(46-58)60-36-20-38-69-70(60)66-48-65(61-33-14-15-35-64(61)71(66)74-69)53-28-18-27-52(45-53)50-25-10-6-11-26-50/h3-48H,1H2,2H3/b22-4-,55-21+
• InChIKey: WNEOCLNEYGNREV-KBDCXVABSA-N
• XLogP: 19.88
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	946.21
LogP ≤ 5	19.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N-(4-phenylphenyl)-N-[3-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]fluoren-2-amine?

The IUPAC name of 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N-(4-phenylphenyl)-N-[3-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]fluoren-2-amine (CID 155424049) is 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N-(4-phenylphenyl)-N-[3-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]fluoren-2-amine.

What is the SMILES notation for 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N-(4-phenylphenyl)-N-[3-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]fluoren-2-amine?

The canonical SMILES for 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N-(4-phenylphenyl)-N-[3-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]fluoren-2-amine is C=C/C=C(\C=C/C)C1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5oc6c7ccccc7c(-c7cccc(-c8ccccc8)c7)cc6c45)c3)cc21.

What is the InChIKey of 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N-(4-phenylphenyl)-N-[3-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]fluoren-2-amine?

The InChIKey is WNEOCLNEYGNREV-KBDCXVABSA-N. The full InChI is InChI=1S/C72H51NO/c1-3-21-55(22-4-2)72(56-30-12-7-13-31-56)67-37-17-16-34-62(67)63-44-43-59(47-68(63)72)73(57-41-39-51(40-42-57)49-23-8-5-9-24-49)58-32-19-29-54(46-58)60-36-20-38-69-70(60)66-48-65(61-33-14-15-35-64(61)71(66)74-69)53-28-18-27-52(45-53)50-25-10-6-11-26-50/h3-48H,1H2,2H3/b22-4-,55-21+.

What are the key properties of 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N-(4-phenylphenyl)-N-[3-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]fluoren-2-amine?

9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N-(4-phenylphenyl)-N-[3-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]fluoren-2-amine has a molecular weight of 946.21 g/mol, XLogP of 19.88, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N-(4-phenylphenyl)-N-[3-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 155424049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).