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

C195H132N6OS2Si3 — CID 165032020

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

N-dibenzofuran-3-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-naphthalen-1-ylcarbazol-3-amine;9-dibenzothiophen-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-3-amine (PubChem CID 165032020) has the molecular formula C195H132N6OS2Si3 and a molecular weight of 2723.63 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-naphthalen-1-ylcarbazol-3-amine;9-dibenzothiophen-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-3-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-naphthalen-1-ylcarbazol-3-amine;9-dibenzothiophen-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-3-amine
• PubChem CID: 165032020
• Molecular Formula: C195H132N6OS2Si3
• Molecular Weight: 2723.63 g/mol
• Exact Mass: 2720.92
• IUPAC Name: N-dibenzofuran-3-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-naphthalen-1-ylcarbazol-3-amine;9-dibenzothiophen-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-3-amine
• SMILES: C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccc4sc5ccccc5c4c3)c3cccc4ccccc34)cc21.C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3cccc4sc5ccccc5c34)c3cccc4ccccc34)cc21.C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc21
• InChI: InChI=1S/C65H44N2OSi.2C65H44N2SSi/c1-69(2)62-31-12-9-26-54(62)65(53-25-8-5-21-47(53)51-24-13-18-42-19-14-27-56(65)64(42)51)55-36-33-45(40-63(55)69)66(44-32-35-50-49-23-7-11-30-60(49)68-61(50)39-44)43-34-37-59-52(38-43)48-22-6-10-28-58(48)67(59)57-29-15-17-41-16-3-4-20-46(41)57;1-69(2)61-34-12-9-27-52(61)65(51-26-8-5-22-46(51)48-25-13-19-42-20-14-28-54(65)63(42)48)53-37-35-44(40-62(53)69)66(55-30-15-18-41-17-3-4-21-45(41)55)43-36-38-57-50(39-43)47-23-6-10-29-56(47)67(57)58-31-16-33-60-64(58)49-24-7-11-32-59(49)68-60;1-69(2)62-31-12-9-26-54(62)65(53-25-8-5-21-47(53)50-24-13-18-42-19-14-27-56(65)64(42)50)55-35-32-45(40-63(55)69)66(57-29-15-17-41-16-3-4-20-46(41)57)43-33-36-59-51(38-43)48-22-6-10-28-58(48)67(59)44-34-37-61-52(39-44)49-23-7-11-30-60(49)68-61/h3*3-40H,1-2H3
• InChIKey: MUQRXCKXXBGONB-UHFFFAOYSA-N
• XLogP: 48.81
• TPSA: 37.65 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2723.63
LogP ≤ 5	48.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-dibenzofuran-3-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-naphthalen-1-ylcarbazol-3-amine;9-dibenzothiophen-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-3-amine (CID 165032020) is N-dibenzofuran-3-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-naphthalen-1-ylcarbazol-3-amine;9-dibenzothiophen-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-3-amine.

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

The canonical SMILES for N-dibenzofuran-3-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-naphthalen-1-ylcarbazol-3-amine;9-dibenzothiophen-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-3-amine is C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccc4sc5ccccc5c4c3)c3cccc4ccccc34)cc21.C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3cccc4sc5ccccc5c34)c3cccc4ccccc34)cc21.C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc21.

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

The InChIKey is MUQRXCKXXBGONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2OSi.2C65H44N2SSi/c1-69(2)62-31-12-9-26-54(62)65(53-25-8-5-21-47(53)51-24-13-18-42-19-14-27-56(65)64(42)51)55-36-33-45(40-63(55)69)66(44-32-35-50-49-23-7-11-30-60(49)68-61(50)39-44)43-34-37-59-52(38-43)48-22-6-10-28-58(48)67(59)57-29-15-17-41-16-3-4-20-46(41)57;1-69(2)61-34-12-9-27-52(61)65(51-26-8-5-22-46(51)48-25-13-19-42-20-14-28-54(65)63(42)48)53-37-35-44(40-62(53)69)66(55-30-15-18-41-17-3-4-21-45(41)55)43-36-38-57-50(39-43)47-23-6-10-29-56(47)67(57)58-31-16-33-60-64(58)49-24-7-11-32-59(49)68-60;1-69(2)62-31-12-9-26-54(62)65(53-25-8-5-21-47(53)50-24-13-18-42-19-14-27-56(65)64(42)50)55-35-32-45(40-63(55)69)66(57-29-15-17-41-16-3-4-20-46(41)57)43-33-36-59-51(38-43)48-22-6-10-28-58(48)67(59)44-34-37-61-52(39-44)49-23-7-11-30-60(49)68-61/h3*3-40H,1-2H3.

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

N-dibenzofuran-3-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-naphthalen-1-ylcarbazol-3-amine;9-dibenzothiophen-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-3-amine has a molecular weight of 2723.63 g/mol, XLogP of 48.81, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-3-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-naphthalen-1-ylcarbazol-3-amine;9-dibenzothiophen-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-3-amine is sourced from PubChem (CID 165032020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).