N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide

C55H42N2 — CID 176834989

About N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide

N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide (PubChem CID 176834989) has the molecular formula C55H42N2 and a molecular weight of 730.96 g/mol. Its IUPAC name is N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide.

Molecular Properties

• Compound Name: N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide
• PubChem CID: 176834989
• Molecular Formula: C55H42N2
• Molecular Weight: 730.96 g/mol
• Exact Mass: 730.33
• IUPAC Name: N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide
• SMILES: CC1(C)c2cc(-c3ccc(C(=C/Cc4cccc(-c5ccccc5)c4)/N=C(\N)c4cccc5ccccc45)c4ccccc34)ccc2-c2cc3ccccc3cc21
• InChI: InChI=1S/C55H42N2/c1-55(2)51-35-42(27-28-47(51)50-33-40-18-6-7-19-41(40)34-52(50)55)44-29-30-48(46-24-11-10-23-45(44)46)53(57-54(56)49-25-13-20-38-17-8-9-22-43(38)49)31-26-36-14-12-21-39(32-36)37-15-4-3-5-16-37/h3-25,27-35H,26H2,1-2H3,(H2,56,57)/b53-31-
• InChIKey: CIRUDZYSHSJDNS-DRKIGOFMSA-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-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide?

The IUPAC name of N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide (CID 176834989) is N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide.

What is the SMILES notation for N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide?

The canonical SMILES for N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide is CC1(C)c2cc(-c3ccc(C(=C/Cc4cccc(-c5ccccc5)c4)/N=C(\N)c4cccc5ccccc45)c4ccccc34)ccc2-c2cc3ccccc3cc21.

What is the InChIKey of N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide?

The InChIKey is CIRUDZYSHSJDNS-DRKIGOFMSA-N. The full InChI is InChI=1S/C55H42N2/c1-55(2)51-35-42(27-28-47(51)50-33-40-18-6-7-19-41(40)34-52(50)55)44-29-30-48(46-24-11-10-23-45(44)46)53(57-54(56)49-25-13-20-38-17-8-9-22-43(38)49)31-26-36-14-12-21-39(32-36)37-15-4-3-5-16-37/h3-25,27-35H,26H2,1-2H3,(H2,56,57)/b53-31-.

What are the key properties of N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide?

N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(3-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-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide is sourced from PubChem (CID 176834989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).