N-[4-(3,4-dihydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-N-[3-phenyl-4-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine

C65H49N — CID 134194369

About N-[4-(3,4-dihydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-N-[3-phenyl-4-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine

N-[4-(3,4-dihydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-N-[3-phenyl-4-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 134194369) has the molecular formula C65H49N and a molecular weight of 844.11 g/mol. Its IUPAC name is N-[4-(3,4-dihydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-N-[3-phenyl-4-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: N-[4-(3,4-dihydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-N-[3-phenyl-4-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 134194369
• Molecular Formula: C65H49N
• Molecular Weight: 844.11 g/mol
• Exact Mass: 843.39
• IUPAC Name: N-[4-(3,4-dihydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-N-[3-phenyl-4-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
• SMILES: C=C/C(=C\C=C\c1ccccc1)c1ccc(N(C2=CC=C(C3=Cc4ccccc4CC3)CC2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1-c1ccccc1
• InChI: InChI=1S/C65H49N/c1-2-46(25-17-20-45-18-5-3-6-19-45)55-40-38-53(43-60(55)49-22-7-4-8-23-49)66(52-36-34-48(35-37-52)51-33-32-47-21-9-10-24-50(47)42-51)54-39-41-59-58-28-13-16-31-63(58)65(64(59)44-54)61-29-14-11-26-56(61)57-27-12-15-30-62(57)65/h2-31,34,36,38-44H,1,32-33,35,37H2/b20-17+,46-25+
• InChIKey: CADROVSOTMLXFR-MOUNRCALSA-N
• XLogP: 16.75
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.11
LogP ≤ 5	16.75
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-[4-(3,4-dihydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-N-[3-phenyl-4-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of N-[4-(3,4-dihydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-N-[3-phenyl-4-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 134194369) is N-[4-(3,4-dihydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-N-[3-phenyl-4-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for N-[4-(3,4-dihydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-N-[3-phenyl-4-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for N-[4-(3,4-dihydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-N-[3-phenyl-4-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine is C=C/C(=C\C=C\c1ccccc1)c1ccc(N(C2=CC=C(C3=Cc4ccccc4CC3)CC2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1-c1ccccc1.

What is the InChIKey of N-[4-(3,4-dihydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-N-[3-phenyl-4-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is CADROVSOTMLXFR-MOUNRCALSA-N. The full InChI is InChI=1S/C65H49N/c1-2-46(25-17-20-45-18-5-3-6-19-45)55-40-38-53(43-60(55)49-22-7-4-8-23-49)66(52-36-34-48(35-37-52)51-33-32-47-21-9-10-24-50(47)42-51)54-39-41-59-58-28-13-16-31-63(58)65(64(59)44-54)61-29-14-11-26-56(61)57-27-12-15-30-62(57)65/h2-31,34,36,38-44H,1,32-33,35,37H2/b20-17+,46-25+.

What are the key properties of N-[4-(3,4-dihydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-N-[3-phenyl-4-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?

N-[4-(3,4-dihydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-N-[3-phenyl-4-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 844.11 g/mol, XLogP of 16.75, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,4-dihydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-N-[3-phenyl-4-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 134194369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).