(Z)-N'-[[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-phenylphenyl)prop-2-ene-1,3-diimine

C57H42N2 — CID 176834923

About (Z)-N'-[[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-phenylphenyl)prop-2-ene-1,3-diimine

(Z)-N'-[[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-phenylphenyl)prop-2-ene-1,3-diimine (PubChem CID 176834923) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is (Z)-N'-[[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-phenylphenyl)prop-2-ene-1,3-diimine.

Molecular Properties

• Compound Name: (Z)-N'-[[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-phenylphenyl)prop-2-ene-1,3-diimine
• PubChem CID: 176834923
• Molecular Formula: C57H42N2
• Molecular Weight: 754.98 g/mol
• Exact Mass: 754.33
• IUPAC Name: (Z)-N'-[[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-phenylphenyl)prop-2-ene-1,3-diimine
• SMILES: [H]/N=C(/C=C(\N=C\c1ccc(-c2ccc(-c3ccc4c(c3)C(C)(C)c3ccc5ccccc5c3-4)cc2)c2ccccc12)c1ccc(-c2ccccc2)cc1)c1ccccc1
• InChI: InChI=1S/C57H42N2/c1-57(2)52-34-31-41-15-9-10-19-49(41)56(52)51-33-29-45(35-53(51)57)40-21-25-42(26-22-40)48-32-30-46(47-18-11-12-20-50(47)48)37-59-55(36-54(58)43-16-7-4-8-17-43)44-27-23-39(24-28-44)38-13-5-3-6-14-38/h3-37,58H,1-2H3/b55-36-,58-54-,59-37+
• InChIKey: GBNUORMEYMCZFL-KZNBFJCISA-N
• XLogP: 14.83
• TPSA: 36.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.98
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-phenylphenyl)prop-2-ene-1,3-diimine?

The IUPAC name of (Z)-N'-[[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-phenylphenyl)prop-2-ene-1,3-diimine (CID 176834923) is (Z)-N'-[[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-phenylphenyl)prop-2-ene-1,3-diimine.

What is the SMILES notation for (Z)-N'-[[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-phenylphenyl)prop-2-ene-1,3-diimine?

The canonical SMILES for (Z)-N'-[[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-phenylphenyl)prop-2-ene-1,3-diimine is [H]/N=C(/C=C(\N=C\c1ccc(-c2ccc(-c3ccc4c(c3)C(C)(C)c3ccc5ccccc5c3-4)cc2)c2ccccc12)c1ccc(-c2ccccc2)cc1)c1ccccc1.

What is the InChIKey of (Z)-N'-[[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-phenylphenyl)prop-2-ene-1,3-diimine?

The InChIKey is GBNUORMEYMCZFL-KZNBFJCISA-N. The full InChI is InChI=1S/C57H42N2/c1-57(2)52-34-31-41-15-9-10-19-49(41)56(52)51-33-29-45(35-53(51)57)40-21-25-42(26-22-40)48-32-30-46(47-18-11-12-20-50(47)48)37-59-55(36-54(58)43-16-7-4-8-17-43)44-27-23-39(24-28-44)38-13-5-3-6-14-38/h3-37,58H,1-2H3/b55-36-,58-54-,59-37+.

What are the key properties of (Z)-N'-[[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-phenylphenyl)prop-2-ene-1,3-diimine?

(Z)-N'-[[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-phenylphenyl)prop-2-ene-1,3-diimine has a molecular weight of 754.98 g/mol, XLogP of 14.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N'-[[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-phenylphenyl)prop-2-ene-1,3-diimine is sourced from PubChem (CID 176834923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).