N-[4-[2-[4-[1-[(1Z)-buta-1,3-dienyl]-2-methylbenzo[e]indol-3-yl]phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine

C62H48N2 — CID 134384104

About N-[4-[2-[4-[1-[(1Z)-buta-1,3-dienyl]-2-methylbenzo[e]indol-3-yl]phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine

N-[4-[2-[4-[1-[(1Z)-buta-1,3-dienyl]-2-methylbenzo[e]indol-3-yl]phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 134384104) has the molecular formula C62H48N2 and a molecular weight of 821.08 g/mol. Its IUPAC name is N-[4-[2-[4-[1-[(1Z)-buta-1,3-dienyl]-2-methylbenzo[e]indol-3-yl]phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

• Compound Name: N-[4-[2-[4-[1-[(1Z)-buta-1,3-dienyl]-2-methylbenzo[e]indol-3-yl]phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
• PubChem CID: 134384104
• Molecular Formula: C62H48N2
• Molecular Weight: 821.08 g/mol
• Exact Mass: 820.38
• IUPAC Name: N-[4-[2-[4-[1-[(1Z)-buta-1,3-dienyl]-2-methylbenzo[e]indol-3-yl]phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
• SMILES: C=C/C=C\c1c(C)n(-c2ccc(-c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4-c4ccccc4C5(C)C)cc3)cc2)c2ccc3ccccc3c12
• InChI: InChI=1S/C62H48N2/c1-5-6-20-51-42(2)63(59-41-34-45-19-10-11-23-54(45)60(51)59)48-37-30-46(31-38-48)52-21-12-13-22-53(52)47-32-39-50(40-33-47)64(49-35-28-44(29-36-49)43-17-8-7-9-18-43)58-27-16-26-57-61(58)55-24-14-15-25-56(55)62(57,3)4/h5-41H,1H2,2-4H3/b20-6-
• InChIKey: MHSBEQZQMHTLSE-IOXNKQMXSA-N
• XLogP: 17.07
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.08
LogP ≤ 5	17.07
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 N-[4-[2-[4-[1-[(1Z)-buta-1,3-dienyl]-2-methylbenzo[e]indol-3-yl]phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?

The IUPAC name of N-[4-[2-[4-[1-[(1Z)-buta-1,3-dienyl]-2-methylbenzo[e]indol-3-yl]phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (CID 134384104) is N-[4-[2-[4-[1-[(1Z)-buta-1,3-dienyl]-2-methylbenzo[e]indol-3-yl]phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.

What is the SMILES notation for N-[4-[2-[4-[1-[(1Z)-buta-1,3-dienyl]-2-methylbenzo[e]indol-3-yl]phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?

The canonical SMILES for N-[4-[2-[4-[1-[(1Z)-buta-1,3-dienyl]-2-methylbenzo[e]indol-3-yl]phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is C=C/C=C\c1c(C)n(-c2ccc(-c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4-c4ccccc4C5(C)C)cc3)cc2)c2ccc3ccccc3c12.

What is the InChIKey of N-[4-[2-[4-[1-[(1Z)-buta-1,3-dienyl]-2-methylbenzo[e]indol-3-yl]phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?

The InChIKey is MHSBEQZQMHTLSE-IOXNKQMXSA-N. The full InChI is InChI=1S/C62H48N2/c1-5-6-20-51-42(2)63(59-41-34-45-19-10-11-23-54(45)60(51)59)48-37-30-46(31-38-48)52-21-12-13-22-53(52)47-32-39-50(40-33-47)64(49-35-28-44(29-36-49)43-17-8-7-9-18-43)58-27-16-26-57-61(58)55-24-14-15-25-56(55)62(57,3)4/h5-41H,1H2,2-4H3/b20-6-.

What are the key properties of N-[4-[2-[4-[1-[(1Z)-buta-1,3-dienyl]-2-methylbenzo[e]indol-3-yl]phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?

N-[4-[2-[4-[1-[(1Z)-buta-1,3-dienyl]-2-methylbenzo[e]indol-3-yl]phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 821.08 g/mol, XLogP of 17.07, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-[1-[(1Z)-buta-1,3-dienyl]-2-methylbenzo[e]indol-3-yl]phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 134384104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).