N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine

C189H114N6O2S4 — CID 165064213

About N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine

N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine (PubChem CID 165064213) has the molecular formula C189H114N6O2S4 and a molecular weight of 2629.30 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine
• PubChem CID: 165064213
• Molecular Formula: C189H114N6O2S4
• Molecular Weight: 2629.30 g/mol
• Exact Mass: 2626.79
• IUPAC Name: N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine
• SMILES: c1ccc2c(c1)Sc1ccc(N(c3ccc4c5ccccc5n(-c5ccc6c(c5)oc5ccccc56)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)Sc1ccc(N(c3ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)Sc1ccc(N(c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)c3cccc4oc5ccccc5c34)cc1C21c2ccccc2-c2cccc3cccc1c23
• InChI: InChI=1S/2C63H38N2OS.C63H38N2S2/c1-2-19-43-39(15-1)16-13-28-53(43)65-54-27-8-4-21-45(54)46-35-33-42(38-56(46)65)64(55-29-14-31-58-62(55)48-22-5-9-30-57(48)66-58)41-34-36-60-52(37-41)63(50-25-7-10-32-59(50)67-60)49-24-6-3-20-44(49)47-23-11-17-40-18-12-26-51(63)61(40)47;1-2-18-44-39(14-1)15-13-27-55(44)64(42-30-33-47-46-20-4-8-26-56(46)65(57(47)37-42)43-31-34-49-48-21-5-9-28-58(48)66-59(49)38-43)41-32-35-61-54(36-41)63(52-24-7-10-29-60(52)67-61)51-23-6-3-19-45(51)50-22-11-16-40-17-12-25-53(63)62(40)50;1-2-18-44-39(14-1)15-13-27-55(44)64(43-30-33-47-46-20-4-8-26-56(46)65(57(47)38-43)41-31-34-59-50(36-41)48-21-5-9-28-58(48)66-59)42-32-35-61-54(37-42)63(52-24-7-10-29-60(52)67-61)51-23-6-3-19-45(51)49-22-11-16-40-17-12-25-53(63)62(40)49/h3*1-38H
• InChIKey: RRXNSFZVLKVDNV-UHFFFAOYSA-N
• XLogP: 52.33
• TPSA: 50.79 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2629.30
LogP ≤ 5	52.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine?

The IUPAC name of N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine (CID 165064213) is N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine.

What is the SMILES notation for N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine?

The canonical SMILES for N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine is c1ccc2c(c1)Sc1ccc(N(c3ccc4c5ccccc5n(-c5ccc6c(c5)oc5ccccc56)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)Sc1ccc(N(c3ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)Sc1ccc(N(c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)c3cccc4oc5ccccc5c34)cc1C21c2ccccc2-c2cccc3cccc1c23.

What is the InChIKey of N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine?

The InChIKey is RRXNSFZVLKVDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C63H38N2OS.C63H38N2S2/c1-2-19-43-39(15-1)16-13-28-53(43)65-54-27-8-4-21-45(54)46-35-33-42(38-56(46)65)64(55-29-14-31-58-62(55)48-22-5-9-30-57(48)66-58)41-34-36-60-52(37-41)63(50-25-7-10-32-59(50)67-60)49-24-6-3-20-44(49)47-23-11-17-40-18-12-26-51(63)61(40)47;1-2-18-44-39(14-1)15-13-27-55(44)64(42-30-33-47-46-20-4-8-26-56(46)65(57(47)37-42)43-31-34-49-48-21-5-9-28-58(48)66-59(49)38-43)41-32-35-61-54(36-41)63(52-24-7-10-29-60(52)67-61)51-23-6-3-19-45(51)50-22-11-16-40-17-12-25-53(63)62(40)50;1-2-18-44-39(14-1)15-13-27-55(44)64(43-30-33-47-46-20-4-8-26-56(46)65(57(47)38-43)41-31-34-59-50(36-41)48-21-5-9-28-58(48)66-59)42-32-35-61-54(37-42)63(52-24-7-10-29-60(52)67-61)51-23-6-3-19-45(51)49-22-11-16-40-17-12-25-53(63)62(40)49/h3*1-38H.

What are the key properties of N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine?

N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine has a molecular weight of 2629.30 g/mol, XLogP of 52.33, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine is sourced from PubChem (CID 165064213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).