N-dibenzothiophen-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine

C188H118N6S5 — CID 164953994

IUPACN-dibenzothiophen-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2c(-n3c4ccccc4c4ccc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5cccc7cccc-6c57)cc43)cccc21.c1ccc2c(c1)Sc1ccccc1C21c2cc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)ccc2-c2cccc3cccc1c23.c1ccc2c(c1)Sc1ccccc1C21c2cc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)ccc2-c2cccc3cccc1c23
InChIInChI=1S/2C63H38N2S2.C62H42N2S/c1-2-18-44-39(14-1)15-13-26-55(44)65-56-25-7-3-19-46(56)47-34-31-43(38-57(47)65)64(41-32-35-59-50(36-41)48-20-4-8-27-58(48)66-59)42-30-33-45-49-21-11-16-40-17-12-24-53(62(40)49)63(54(45)37-42)51-22-5-9-28-60(51)67-61-29-10-6-23-52(61)63;1-2-18-44-39(14-1)15-13-26-55(44)65-56-25-7-3-19-46(56)47-34-31-42(37-57(47)65)64(43-32-35-49-48-20-4-8-27-58(48)66-61(49)38-43)41-30-33-45-50-21-11-16-40-17-12-24-53(62(40)50)63(54(45)36-41)51-22-5-9-28-59(51)67-60-29-10-6-23-52(60)63;1-61(2)48-24-8-6-22-47(48)60-51(61)27-16-30-55(60)64-54-29-11-7-21-44(54)45-36-34-42(38-56(45)64)63(40-19-4-3-5-20-40)41-33-35-43-46-23-14-17-39-18-15-28-52(59(39)46)62(53(43)37-41)49-25-9-12-31-57(49)65-58-32-13-10-26-50(58)62/h2*1-38H;3-38H,1-2H3
InChIKeyAXPWFQHCSFLYLW-UHFFFAOYSA-N
MW2621.39 g/mol
LogP52.05
Rot. Bonds12

About N-dibenzothiophen-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine

N-dibenzothiophen-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine (PubChem CID 164953994) has the molecular formula C188H118N6S5 and a molecular weight of 2621.39 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
PubChem CID164953994
Molecular FormulaC188H118N6S5
Molecular Weight2621.39 g/mol
Exact Mass2618.80
IUPAC NameN-dibenzothiophen-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2c(-n3c4ccccc4c4ccc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5cccc7cccc-6c57)cc43)cccc21.c1ccc2c(c1)Sc1ccccc1C21c2cc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)ccc2-c2cccc3cccc1c23.c1ccc2c(c1)Sc1ccccc1C21c2cc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)ccc2-c2cccc3cccc1c23
InChIInChI=1S/2C63H38N2S2.C62H42N2S/c1-2-18-44-39(14-1)15-13-26-55(44)65-56-25-7-3-19-46(56)47-34-31-43(38-57(47)65)64(41-32-35-59-50(36-41)48-20-4-8-27-58(48)66-59)42-30-33-45-49-21-11-16-40-17-12-24-53(62(40)49)63(54(45)37-42)51-22-5-9-28-60(51)67-61-29-10-6-23-52(61)63;1-2-18-44-39(14-1)15-13-26-55(44)65-56-25-7-3-19-46(56)47-34-31-42(37-57(47)65)64(43-32-35-49-48-20-4-8-27-58(48)66-61(49)38-43)41-30-33-45-50-21-11-16-40-17-12-24-53(62(40)50)63(54(45)36-41)51-22-5-9-28-59(51)67-60-29-10-6-23-52(60)63;1-61(2)48-24-8-6-22-47(48)60-51(61)27-16-30-55(60)64-54-29-11-7-21-44(54)45-36-34-42(38-56(45)64)63(40-19-4-3-5-20-40)41-33-35-43-46-23-14-17-39-18-15-28-52(59(39)46)62(53(43)37-41)49-25-9-12-31-57(49)65-58-32-13-10-26-50(58)62/h2*1-38H;3-38H,1-2H3
InChIKeyAXPWFQHCSFLYLW-UHFFFAOYSA-N
XLogP52.05
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002621.39
LogP ≤ 552.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze N-dibenzothiophen-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine with MolForge

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Related Compounds

9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
CID 164794351
N-dibenzothiophen-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794564
N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
CID 164794672
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-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 165049631
N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
CID 164794241
N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine
CID 164965051
9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732111
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164961963
9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
CID 164794005
N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794572
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
CID 165052697

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine?
The IUPAC name of N-dibenzothiophen-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine (CID 164953994) is N-dibenzothiophen-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine is CC1(C)c2ccccc2-c2c(-n3c4ccccc4c4ccc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5cccc7cccc-6c57)cc43)cccc21.c1ccc2c(c1)Sc1ccccc1C21c2cc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)ccc2-c2cccc3cccc1c23.c1ccc2c(c1)Sc1ccccc1C21c2cc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)ccc2-c2cccc3cccc1c23.
What is the InChIKey of N-dibenzothiophen-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine?
The InChIKey is AXPWFQHCSFLYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C63H38N2S2.C62H42N2S/c1-2-18-44-39(14-1)15-13-26-55(44)65-56-25-7-3-19-46(56)47-34-31-43(38-57(47)65)64(41-32-35-59-50(36-41)48-20-4-8-27-58(48)66-59)42-30-33-45-49-21-11-16-40-17-12-24-53(62(40)49)63(54(45)37-42)51-22-5-9-28-60(51)67-61-29-10-6-23-52(61)63;1-2-18-44-39(14-1)15-13-26-55(44)65-56-25-7-3-19-46(56)47-34-31-42(37-57(47)65)64(43-32-35-49-48-20-4-8-27-58(48)66-61(49)38-43)41-30-33-45-50-21-11-16-40-17-12-24-53(62(40)50)63(54(45)36-41)51-22-5-9-28-59(51)67-60-29-10-6-23-52(60)63;1-61(2)48-24-8-6-22-47(48)60-51(61)27-16-30-55(60)64-54-29-11-7-21-44(54)45-36-34-42(38-56(45)64)63(40-19-4-3-5-20-40)41-33-35-43-46-23-14-17-39-18-15-28-52(59(39)46)62(53(43)37-41)49-25-9-12-31-57(49)65-58-32-13-10-26-50(58)62/h2*1-38H;3-38H,1-2H3.
What are the key properties of N-dibenzothiophen-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine?
N-dibenzothiophen-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine has a molecular weight of 2621.39 g/mol, XLogP of 52.05, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine is sourced from PubChem (CID 164953994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).