(Z)-N'-[[4-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine

C56H41N3 — CID 176834984

About (Z)-N'-[[4-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine

(Z)-N'-[[4-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine (PubChem CID 176834984) has the molecular formula C56H41N3 and a molecular weight of 755.97 g/mol. Its IUPAC name is (Z)-N'-[[4-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine.

Molecular Properties

• Compound Name: (Z)-N'-[[4-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine
• PubChem CID: 176834984
• Molecular Formula: C56H41N3
• Molecular Weight: 755.97 g/mol
• Exact Mass: 755.33
• IUPAC Name: (Z)-N'-[[4-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine
• SMILES: [H]/N=C(/C=C(\N=C\c1ccc(-c2cccc(-c3cccc4c3C(C)(C)c3ccc5ccccc5c3-4)c2)c2ccccc12)c1ccc(-c2cccnc2)cc1)c1ccccc1
• InChI: InChI=1S/C56H41N3/c1-56(2)51-31-29-38-13-6-7-20-47(38)54(51)50-23-11-22-48(55(50)56)42-17-10-16-41(33-42)46-30-28-44(45-19-8-9-21-49(45)46)36-59-53(34-52(57)39-14-4-3-5-15-39)40-26-24-37(25-27-40)43-18-12-32-58-35-43/h3-36,57H,1-2H3/b53-34-,57-52-,59-36+
• InChIKey: ATCGRVDMQPFTSM-PMZUBQRWSA-N
• XLogP: 14.22
• TPSA: 49.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.97
LogP ≤ 5	14.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[[4-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine?

The IUPAC name of (Z)-N'-[[4-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine (CID 176834984) is (Z)-N'-[[4-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine.

What is the SMILES notation for (Z)-N'-[[4-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine?

The canonical SMILES for (Z)-N'-[[4-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine is [H]/N=C(/C=C(\N=C\c1ccc(-c2cccc(-c3cccc4c3C(C)(C)c3ccc5ccccc5c3-4)c2)c2ccccc12)c1ccc(-c2cccnc2)cc1)c1ccccc1.

What is the InChIKey of (Z)-N'-[[4-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine?

The InChIKey is ATCGRVDMQPFTSM-PMZUBQRWSA-N. The full InChI is InChI=1S/C56H41N3/c1-56(2)51-31-29-38-13-6-7-20-47(38)54(51)50-23-11-22-48(55(50)56)42-17-10-16-41(33-42)46-30-28-44(45-19-8-9-21-49(45)46)36-59-53(34-52(57)39-14-4-3-5-15-39)40-26-24-37(25-27-40)43-18-12-32-58-35-43/h3-36,57H,1-2H3/b53-34-,57-52-,59-36+.

What are the key properties of (Z)-N'-[[4-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine?

(Z)-N'-[[4-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine has a molecular weight of 755.97 g/mol, XLogP of 14.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N'-[[4-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine is sourced from PubChem (CID 176834984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).