(Z)-N'-[[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine

C56H41N3 — CID 176834940

About (Z)-N'-[[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine

(Z)-N'-[[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine (PubChem CID 176834940) has the molecular formula C56H41N3 and a molecular weight of 755.97 g/mol. Its IUPAC name is (Z)-N'-[[4-[4-(7,7-dimethylbenzo[c]fluoren-10-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-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine
• PubChem CID: 176834940
• Molecular Formula: C56H41N3
• Molecular Weight: 755.97 g/mol
• Exact Mass: 755.33
• IUPAC Name: (Z)-N'-[[4-[4-(7,7-dimethylbenzo[c]fluoren-10-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(-c2ccc(-c3ccc4c(c3)-c3c(ccc5ccccc35)C4(C)C)cc2)c2ccccc12)c1ccc(-c2cccnc2)cc1)c1ccccc1
• InChI: InChI=1S/C56H41N3/c1-56(2)51-30-28-43(33-50(51)55-48-16-7-6-11-39(48)27-31-52(55)56)37-18-22-40(23-19-37)47-29-26-45(46-15-8-9-17-49(46)47)36-59-54(34-53(57)41-12-4-3-5-13-41)42-24-20-38(21-25-42)44-14-10-32-58-35-44/h3-36,57H,1-2H3/b54-34-,57-53-,59-36+
• InChIKey: PFMMTMZFATTXBS-FMAVLUKUSA-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-[4-(7,7-dimethylbenzo[c]fluoren-10-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-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine (CID 176834940) is (Z)-N'-[[4-[4-(7,7-dimethylbenzo[c]fluoren-10-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-[4-(7,7-dimethylbenzo[c]fluoren-10-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-[4-(7,7-dimethylbenzo[c]fluoren-10-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(-c2ccc(-c3ccc4c(c3)-c3c(ccc5ccccc35)C4(C)C)cc2)c2ccccc12)c1ccc(-c2cccnc2)cc1)c1ccccc1.

What is the InChIKey of (Z)-N'-[[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine?

The InChIKey is PFMMTMZFATTXBS-FMAVLUKUSA-N. The full InChI is InChI=1S/C56H41N3/c1-56(2)51-30-28-43(33-50(51)55-48-16-7-6-11-39(48)27-31-52(55)56)37-18-22-40(23-19-37)47-29-26-45(46-15-8-9-17-49(46)47)36-59-54(34-53(57)41-12-4-3-5-13-41)42-24-20-38(21-25-42)44-14-10-32-58-35-44/h3-36,57H,1-2H3/b54-34-,57-53-,59-36+.

What are the key properties of (Z)-N'-[[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine?

(Z)-N'-[[4-[4-(7,7-dimethylbenzo[c]fluoren-10-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-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine is sourced from PubChem (CID 176834940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).