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

C51H38N2 — CID 176835191

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

(Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine (PubChem CID 176835191) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is (Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine.

Molecular Properties

• Compound Name: (Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine
• PubChem CID: 176835191
• Molecular Formula: C51H38N2
• Molecular Weight: 678.88 g/mol
• Exact Mass: 678.30
• IUPAC Name: (Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine
• SMILES: [H]/N=C(/C=C(\N=C\c1ccc(-c2cccc(-c3ccc4c(c3)-c3c(ccc5ccccc35)C4(C)C)c2)c2ccccc12)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C51H38N2/c1-51(2)46-28-26-38(31-45(46)50-43-22-10-9-14-34(43)25-29-47(50)51)37-19-13-20-39(30-37)42-27-24-40(41-21-11-12-23-44(41)42)33-53-49(36-17-7-4-8-18-36)32-48(52)35-15-5-3-6-16-35/h3-33,52H,1-2H3/b49-32-,52-48-,53-33+
• InChIKey: JIOQOLSCHNMNFW-NOMHBWMTSA-N
• XLogP: 13.16
• TPSA: 36.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.88
LogP ≤ 5	13.16
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-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine?

The IUPAC name of (Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine (CID 176835191) is (Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine.

What is the SMILES notation for (Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine?

The canonical SMILES for (Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine is [H]/N=C(/C=C(\N=C\c1ccc(-c2cccc(-c3ccc4c(c3)-c3c(ccc5ccccc35)C4(C)C)c2)c2ccccc12)c1ccccc1)c1ccccc1.

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

The InChIKey is JIOQOLSCHNMNFW-NOMHBWMTSA-N. The full InChI is InChI=1S/C51H38N2/c1-51(2)46-28-26-38(31-45(46)50-43-22-10-9-14-34(43)25-29-47(50)51)37-19-13-20-39(30-37)42-27-24-40(41-21-11-12-23-44(41)42)33-53-49(36-17-7-4-8-18-36)32-48(52)35-15-5-3-6-16-35/h3-33,52H,1-2H3/b49-32-,52-48-,53-33+.

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

(Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine has a molecular weight of 678.88 g/mol, XLogP of 13.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine is sourced from PubChem (CID 176835191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).