5-N-dibenzofuran-4-yl-7,7-dimethyl-9-N-naphthalen-1-yl-9-N-phenyl-5-N-(3-prop-2-enylphenyl)benzo[c]fluorene-5,9-diamine

C56H42N2O — CID 144613044

About 5-N-dibenzofuran-4-yl-7,7-dimethyl-9-N-naphthalen-1-yl-9-N-phenyl-5-N-(3-prop-2-enylphenyl)benzo[c]fluorene-5,9-diamine

5-N-dibenzofuran-4-yl-7,7-dimethyl-9-N-naphthalen-1-yl-9-N-phenyl-5-N-(3-prop-2-enylphenyl)benzo[c]fluorene-5,9-diamine (PubChem CID 144613044) has the molecular formula C56H42N2O and a molecular weight of 758.97 g/mol. Its IUPAC name is 5-N-dibenzofuran-4-yl-7,7-dimethyl-9-N-naphthalen-1-yl-9-N-phenyl-5-N-(3-prop-2-enylphenyl)benzo[c]fluorene-5,9-diamine.

Molecular Properties

• Compound Name: 5-N-dibenzofuran-4-yl-7,7-dimethyl-9-N-naphthalen-1-yl-9-N-phenyl-5-N-(3-prop-2-enylphenyl)benzo[c]fluorene-5,9-diamine
• PubChem CID: 144613044
• Molecular Formula: C56H42N2O
• Molecular Weight: 758.97 g/mol
• Exact Mass: 758.33
• IUPAC Name: 5-N-dibenzofuran-4-yl-7,7-dimethyl-9-N-naphthalen-1-yl-9-N-phenyl-5-N-(3-prop-2-enylphenyl)benzo[c]fluorene-5,9-diamine
• SMILES: C=CCc1cccc(N(c2cc3c(c4ccccc24)-c2ccc(N(c4ccccc4)c4cccc5ccccc45)cc2C3(C)C)c2cccc3c2oc2ccccc23)c1
• InChI: InChI=1S/C56H42N2O/c1-4-17-37-18-14-23-40(34-37)58(51-30-16-28-46-44-26-12-13-31-53(44)59-55(46)51)52-36-49-54(45-27-11-10-25-43(45)52)47-33-32-41(35-48(47)56(49,2)3)57(39-21-6-5-7-22-39)50-29-15-20-38-19-8-9-24-42(38)50/h4-16,18-36H,1,17H2,2-3H3
• InChIKey: OGBPVLBQIUOQAZ-UHFFFAOYSA-N
• XLogP: 15.87
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.97
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-N-dibenzofuran-4-yl-7,7-dimethyl-9-N-naphthalen-1-yl-9-N-phenyl-5-N-(3-prop-2-enylphenyl)benzo[c]fluorene-5,9-diamine?

The IUPAC name of 5-N-dibenzofuran-4-yl-7,7-dimethyl-9-N-naphthalen-1-yl-9-N-phenyl-5-N-(3-prop-2-enylphenyl)benzo[c]fluorene-5,9-diamine (CID 144613044) is 5-N-dibenzofuran-4-yl-7,7-dimethyl-9-N-naphthalen-1-yl-9-N-phenyl-5-N-(3-prop-2-enylphenyl)benzo[c]fluorene-5,9-diamine.

What is the SMILES notation for 5-N-dibenzofuran-4-yl-7,7-dimethyl-9-N-naphthalen-1-yl-9-N-phenyl-5-N-(3-prop-2-enylphenyl)benzo[c]fluorene-5,9-diamine?

The canonical SMILES for 5-N-dibenzofuran-4-yl-7,7-dimethyl-9-N-naphthalen-1-yl-9-N-phenyl-5-N-(3-prop-2-enylphenyl)benzo[c]fluorene-5,9-diamine is C=CCc1cccc(N(c2cc3c(c4ccccc24)-c2ccc(N(c4ccccc4)c4cccc5ccccc45)cc2C3(C)C)c2cccc3c2oc2ccccc23)c1.

What is the InChIKey of 5-N-dibenzofuran-4-yl-7,7-dimethyl-9-N-naphthalen-1-yl-9-N-phenyl-5-N-(3-prop-2-enylphenyl)benzo[c]fluorene-5,9-diamine?

The InChIKey is OGBPVLBQIUOQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N2O/c1-4-17-37-18-14-23-40(34-37)58(51-30-16-28-46-44-26-12-13-31-53(44)59-55(46)51)52-36-49-54(45-27-11-10-25-43(45)52)47-33-32-41(35-48(47)56(49,2)3)57(39-21-6-5-7-22-39)50-29-15-20-38-19-8-9-24-42(38)50/h4-16,18-36H,1,17H2,2-3H3.

What are the key properties of 5-N-dibenzofuran-4-yl-7,7-dimethyl-9-N-naphthalen-1-yl-9-N-phenyl-5-N-(3-prop-2-enylphenyl)benzo[c]fluorene-5,9-diamine?

5-N-dibenzofuran-4-yl-7,7-dimethyl-9-N-naphthalen-1-yl-9-N-phenyl-5-N-(3-prop-2-enylphenyl)benzo[c]fluorene-5,9-diamine has a molecular weight of 758.97 g/mol, XLogP of 15.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-dibenzofuran-4-yl-7,7-dimethyl-9-N-naphthalen-1-yl-9-N-phenyl-5-N-(3-prop-2-enylphenyl)benzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 144613044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).