9-dibenzofuran-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-2-amine

C65H44N2OSi — CID 164793942

About 9-dibenzofuran-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-2-amine

9-dibenzofuran-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-2-amine (PubChem CID 164793942) has the molecular formula C65H44N2OSi and a molecular weight of 897.17 g/mol. Its IUPAC name is 9-dibenzofuran-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-2-amine.

Molecular Properties

• Compound Name: 9-dibenzofuran-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-2-amine
• PubChem CID: 164793942
• Molecular Formula: C65H44N2OSi
• Molecular Weight: 897.17 g/mol
• Exact Mass: 896.32
• IUPAC Name: 9-dibenzofuran-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-2-amine
• SMILES: C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccc4c5ccccc5n(-c5cccc6oc7ccccc7c56)c4c3)c3cccc4ccccc34)cc21
• InChI: InChI=1S/C65H44N2OSi/c1-69(2)61-34-12-9-27-52(61)65(51-26-8-5-22-46(51)49-25-13-19-42-20-14-28-54(65)63(42)49)53-38-36-44(40-62(53)69)66(55-30-15-18-41-17-3-4-21-45(41)55)43-35-37-48-47-23-6-10-29-56(47)67(58(48)39-43)57-31-16-33-60-64(57)50-24-7-11-32-59(50)68-60/h3-40H,1-2H3
• InChIKey: FMBHVUIRZQTNAI-UHFFFAOYSA-N
• XLogP: 15.96
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.17
LogP ≤ 5	15.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-2-amine?

The IUPAC name of 9-dibenzofuran-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-2-amine (CID 164793942) is 9-dibenzofuran-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-2-amine.

What is the SMILES notation for 9-dibenzofuran-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-2-amine?

The canonical SMILES for 9-dibenzofuran-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-2-amine is C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccc4c5ccccc5n(-c5cccc6oc7ccccc7c56)c4c3)c3cccc4ccccc34)cc21.

What is the InChIKey of 9-dibenzofuran-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-2-amine?

The InChIKey is FMBHVUIRZQTNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2OSi/c1-69(2)61-34-12-9-27-52(61)65(51-26-8-5-22-46(51)49-25-13-19-42-20-14-28-54(65)63(42)49)53-38-36-44(40-62(53)69)66(55-30-15-18-41-17-3-4-21-45(41)55)43-35-37-48-47-23-6-10-29-56(47)67(58(48)39-43)57-31-16-33-60-64(57)50-24-7-11-32-59(50)68-60/h3-40H,1-2H3.

What are the key properties of 9-dibenzofuran-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-2-amine?

9-dibenzofuran-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-2-amine has a molecular weight of 897.17 g/mol, XLogP of 15.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-dibenzofuran-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-2-amine is sourced from PubChem (CID 164793942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).