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

C171H106N6O2S3 — CID 165056524

IUPAC9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)c2ccccc2n3-c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)c2ccccc2n3-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C59H36N2OS.C59H36N2S2.C53H34N2O/c1-2-16-38(17-3-1)60(39-28-31-53-46(34-39)43-19-5-9-25-52(43)61(53)40-30-33-57-47(35-40)44-20-6-11-27-56(44)63-57)41-29-32-55-51(36-41)59(49-23-8-10-26-54(49)62-55)48-22-7-4-18-42(48)45-21-12-14-37-15-13-24-50(59)58(37)45;1-2-17-38(18-3-1)60(39-31-33-51-45(35-39)42-20-5-9-26-50(42)61(51)52-27-14-30-56-58(52)44-21-6-10-28-53(44)62-56)40-32-34-55-49(36-40)59(47-24-8-11-29-54(47)63-55)46-23-7-4-19-41(46)43-22-12-15-37-16-13-25-48(59)57(37)43;1-3-17-36(18-4-1)54(38-29-31-49-43(33-38)41-22-8-11-27-48(41)55(49)37-19-5-2-6-20-37)39-30-32-51-47(34-39)53(45-25-10-12-28-50(45)56-51)44-24-9-7-21-40(44)42-23-13-15-35-16-14-26-46(53)52(35)42/h2*1-36H;1-34H
InChIKeyQNBWIWVSCNXRID-UHFFFAOYSA-N
MW2372.97 g/mol
LogP46.72
Rot. Bonds12

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

9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine (PubChem CID 165056524) has the molecular formula C171H106N6O2S3 and a molecular weight of 2372.97 g/mol. Its IUPAC name is 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine.

Molecular Properties

Compound Name9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
PubChem CID165056524
Molecular FormulaC171H106N6O2S3
Molecular Weight2372.97 g/mol
Exact Mass2370.75
IUPAC Name9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)c2ccccc2n3-c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)c2ccccc2n3-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C59H36N2OS.C59H36N2S2.C53H34N2O/c1-2-16-38(17-3-1)60(39-28-31-53-46(34-39)43-19-5-9-25-52(43)61(53)40-30-33-57-47(35-40)44-20-6-11-27-56(44)63-57)41-29-32-55-51(36-41)59(49-23-8-10-26-54(49)62-55)48-22-7-4-18-42(48)45-21-12-14-37-15-13-24-50(59)58(37)45;1-2-17-38(18-3-1)60(39-31-33-51-45(35-39)42-20-5-9-26-50(42)61(51)52-27-14-30-56-58(52)44-21-6-10-28-53(44)62-56)40-32-34-55-49(36-40)59(47-24-8-11-29-54(47)63-55)46-23-7-4-19-41(46)43-22-12-15-37-16-13-25-48(59)57(37)43;1-3-17-36(18-4-1)54(38-29-31-49-43(33-38)41-22-8-11-27-48(41)55(49)37-19-5-2-6-20-37)39-30-32-51-47(34-39)53(45-25-10-12-28-50(45)56-51)44-24-9-7-21-40(44)42-23-13-15-35-16-14-26-46(53)52(35)42/h2*1-36H;1-34H
InChIKeyQNBWIWVSCNXRID-UHFFFAOYSA-N
XLogP46.72
TPSA42.97 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002372.97
LogP ≤ 546.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine with MolForge

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Related Compounds

9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine)
CID 164965781
9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794224
9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164793908
9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
CID 164794351
N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
CID 165048712
N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 165077134
N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
CID 164794241
N-dibenzofuran-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164977327
9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 165005039
9-naphthalen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794927
9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine
CID 164794544
N-dibenzothiophen-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794564

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine?
The IUPAC name of 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine (CID 165056524) is 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine.
What is the SMILES notation for 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine?
The canonical SMILES for 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)c2ccccc2n3-c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)c2ccccc2n3-c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine?
The InChIKey is QNBWIWVSCNXRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2OS.C59H36N2S2.C53H34N2O/c1-2-16-38(17-3-1)60(39-28-31-53-46(34-39)43-19-5-9-25-52(43)61(53)40-30-33-57-47(35-40)44-20-6-11-27-56(44)63-57)41-29-32-55-51(36-41)59(49-23-8-10-26-54(49)62-55)48-22-7-4-18-42(48)45-21-12-14-37-15-13-24-50(59)58(37)45;1-2-17-38(18-3-1)60(39-31-33-51-45(35-39)42-20-5-9-26-50(42)61(51)52-27-14-30-56-58(52)44-21-6-10-28-53(44)62-56)40-32-34-55-49(36-40)59(47-24-8-11-29-54(47)63-55)46-23-7-4-19-41(46)43-22-12-15-37-16-13-25-48(59)57(37)43;1-3-17-36(18-4-1)54(38-29-31-49-43(33-38)41-22-8-11-27-48(41)55(49)37-19-5-2-6-20-37)39-30-32-51-47(34-39)53(45-25-10-12-28-50(45)56-51)44-24-9-7-21-40(44)42-23-13-15-35-16-14-26-46(53)52(35)42/h2*1-36H;1-34H.
What are the key properties of 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine?
9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine has a molecular weight of 2372.97 g/mol, XLogP of 46.72, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine is sourced from PubChem (CID 165056524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).