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

C55H40N2 — CID 176834983

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

(Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-3-naphthalen-1-yl-1-phenylprop-2-ene-1,3-diimine (PubChem CID 176834983) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is (Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-3-naphthalen-1-yl-1-phenylprop-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]-3-naphthalen-1-yl-1-phenylprop-2-ene-1,3-diimine
• PubChem CID: 176834983
• Molecular Formula: C55H40N2
• Molecular Weight: 728.94 g/mol
• Exact Mass: 728.32
• IUPAC Name: (Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-3-naphthalen-1-yl-1-phenylprop-2-ene-1,3-diimine
• SMILES: [H]/N=C(/C=C(\N=C\c1ccc(-c2cccc(-c3ccc4c(c3)-c3c(ccc5ccccc35)C4(C)C)c2)c2ccccc12)c1cccc2ccccc12)c1ccccc1
• InChI: InChI=1S/C55H40N2/c1-55(2)50-30-28-40(33-49(50)54-46-23-9-7-15-37(46)27-31-51(54)55)39-19-12-20-41(32-39)45-29-26-42(44-22-10-11-24-47(44)45)35-57-53(34-52(56)38-16-4-3-5-17-38)48-25-13-18-36-14-6-8-21-43(36)48/h3-35,56H,1-2H3/b53-34-,56-52-,57-35+
• InChIKey: BJVJEQFAEYPLRH-KIHXACGESA-N
• XLogP: 14.31
• TPSA: 36.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.94
LogP ≤ 5	14.31
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]-3-naphthalen-1-yl-1-phenylprop-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]-3-naphthalen-1-yl-1-phenylprop-2-ene-1,3-diimine (CID 176834983) is (Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-3-naphthalen-1-yl-1-phenylprop-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]-3-naphthalen-1-yl-1-phenylprop-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]-3-naphthalen-1-yl-1-phenylprop-2-ene-1,3-diimine is [H]/N=C(/C=C(\N=C\c1ccc(-c2cccc(-c3ccc4c(c3)-c3c(ccc5ccccc35)C4(C)C)c2)c2ccccc12)c1cccc2ccccc12)c1ccccc1.

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

The InChIKey is BJVJEQFAEYPLRH-KIHXACGESA-N. The full InChI is InChI=1S/C55H40N2/c1-55(2)50-30-28-40(33-49(50)54-46-23-9-7-15-37(46)27-31-51(54)55)39-19-12-20-41(32-39)45-29-26-42(44-22-10-11-24-47(44)45)35-57-53(34-52(56)38-16-4-3-5-17-38)48-25-13-18-36-14-6-8-21-43(36)48/h3-35,56H,1-2H3/b53-34-,56-52-,57-35+.

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

(Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-3-naphthalen-1-yl-1-phenylprop-2-ene-1,3-diimine has a molecular weight of 728.94 g/mol, XLogP of 14.31, 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]-3-naphthalen-1-yl-1-phenylprop-2-ene-1,3-diimine is sourced from PubChem (CID 176834983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).