N'-[(Z)-1-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-3-(2-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide

C55H42N2 — CID 176835112

About N'-[(Z)-1-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-3-(2-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide

N'-[(Z)-1-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-3-(2-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide (PubChem CID 176835112) has the molecular formula C55H42N2 and a molecular weight of 730.96 g/mol. Its IUPAC name is N'-[(Z)-1-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-3-(2-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide.

Molecular Properties

• Compound Name: N'-[(Z)-1-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-3-(2-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide
• PubChem CID: 176835112
• Molecular Formula: C55H42N2
• Molecular Weight: 730.96 g/mol
• Exact Mass: 730.33
• IUPAC Name: N'-[(Z)-1-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-3-(2-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide
• SMILES: CC1(C)c2cc(-c3ccc(C(=C/Cc4ccccc4-c4ccccc4)/N=C(\N)c4cccc5ccccc45)c4ccccc34)ccc2-c2c1ccc1ccccc21
• InChI: InChI=1S/C55H42N2/c1-55(2)50-33-28-39-19-8-11-23-44(39)53(50)49-30-27-40(35-51(49)55)43-31-32-47(46-25-13-12-24-45(43)46)52(57-54(56)48-26-14-20-37-17-7-10-22-42(37)48)34-29-38-18-6-9-21-41(38)36-15-4-3-5-16-36/h3-28,30-35H,29H2,1-2H3,(H2,56,57)/b52-34-
• InChIKey: QXSXWMRDIZDTAF-WUXYMHFGSA-N
• XLogP: 13.78
• TPSA: 38.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.96
LogP ≤ 5	13.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N'-[(Z)-1-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-3-(2-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide (CID 176835112) is N'-[(Z)-1-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-3-(2-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide.

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

The canonical SMILES for N'-[(Z)-1-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-3-(2-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide is CC1(C)c2cc(-c3ccc(C(=C/Cc4ccccc4-c4ccccc4)/N=C(\N)c4cccc5ccccc45)c4ccccc34)ccc2-c2c1ccc1ccccc21.

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

The InChIKey is QXSXWMRDIZDTAF-WUXYMHFGSA-N. The full InChI is InChI=1S/C55H42N2/c1-55(2)50-33-28-39-19-8-11-23-44(39)53(50)49-30-27-40(35-51(49)55)43-31-32-47(46-25-13-12-24-45(43)46)52(57-54(56)48-26-14-20-37-17-7-10-22-42(37)48)34-29-38-18-6-9-21-41(38)36-15-4-3-5-16-36/h3-28,30-35H,29H2,1-2H3,(H2,56,57)/b52-34-.

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

N'-[(Z)-1-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-3-(2-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide has a molecular weight of 730.96 g/mol, XLogP of 13.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[(Z)-1-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-3-(2-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide is sourced from PubChem (CID 176835112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).