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

C252H152N8S4 — CID 165082920

IUPACN-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4c5ccccc5n(-c5ccc6c(c5)sc5ccccc56)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)-c1ccc(N(c3ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)-c1ccc(N(c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)c3cccc4sc5ccccc5c34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)-c1ccc(N(c3ccc4c5ccccc5n(-c5cccc6sc7ccccc7c56)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/4C63H38N2S/c1-2-19-43-39(15-1)16-13-29-55(43)65-56-28-9-5-22-47(56)48-36-34-42(38-58(48)65)64(57-30-14-32-60-62(57)50-23-6-10-31-59(50)66-60)41-33-35-46-44-20-3-7-25-51(44)63(54(46)37-41)52-26-8-4-21-45(52)49-24-11-17-40-18-12-27-53(63)61(40)49;1-2-19-43-39(15-1)16-13-29-55(43)64(42-34-36-48-47-22-5-9-28-56(47)65(58(48)38-42)57-30-14-32-60-62(57)50-23-6-10-31-59(50)66-60)41-33-35-46-44-20-3-7-25-51(44)63(54(46)37-41)52-26-8-4-21-45(52)49-24-11-17-40-18-12-27-53(63)61(40)49;1-2-18-44-39(14-1)15-13-28-57(44)64(43-31-34-49-48-21-5-9-27-58(48)65(59(49)38-43)41-32-35-61-52(36-41)50-22-6-10-29-60(50)66-61)42-30-33-47-45-19-3-7-24-53(45)63(56(47)37-42)54-25-8-4-20-46(54)51-23-11-16-40-17-12-26-55(63)62(40)51;1-2-18-44-39(14-1)15-13-28-57(44)64(42-31-34-49-48-21-5-9-27-58(48)65(59(49)37-42)43-32-35-51-50-22-6-10-29-60(50)66-61(51)38-43)41-30-33-47-45-19-3-7-24-53(45)63(56(47)36-41)54-25-8-4-20-46(54)52-23-11-16-40-17-12-26-55(63)62(40)52/h4*1-38H
InChIKeyVKMGUIQPAIIBDL-UHFFFAOYSA-N
MW3420.31 g/mol
LogP69.09
Rot. Bonds16

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

N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine (PubChem CID 165082920) has the molecular formula C252H152N8S4 and a molecular weight of 3420.31 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
PubChem CID165082920
Molecular FormulaC252H152N8S4
Molecular Weight3420.31 g/mol
Exact Mass3417.10
IUPAC NameN-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4c5ccccc5n(-c5ccc6c(c5)sc5ccccc56)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)-c1ccc(N(c3ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)-c1ccc(N(c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)c3cccc4sc5ccccc5c34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)-c1ccc(N(c3ccc4c5ccccc5n(-c5cccc6sc7ccccc7c56)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/4C63H38N2S/c1-2-19-43-39(15-1)16-13-29-55(43)65-56-28-9-5-22-47(56)48-36-34-42(38-58(48)65)64(57-30-14-32-60-62(57)50-23-6-10-31-59(50)66-60)41-33-35-46-44-20-3-7-25-51(44)63(54(46)37-41)52-26-8-4-21-45(52)49-24-11-17-40-18-12-27-53(63)61(40)49;1-2-19-43-39(15-1)16-13-29-55(43)64(42-34-36-48-47-22-5-9-28-56(47)65(58(48)38-42)57-30-14-32-60-62(57)50-23-6-10-31-59(50)66-60)41-33-35-46-44-20-3-7-25-51(44)63(54(46)37-41)52-26-8-4-21-45(52)49-24-11-17-40-18-12-27-53(63)61(40)49;1-2-18-44-39(14-1)15-13-28-57(44)64(43-31-34-49-48-21-5-9-27-58(48)65(59(49)38-43)41-32-35-61-52(36-41)50-22-6-10-29-60(50)66-61)42-30-33-47-45-19-3-7-24-53(45)63(56(47)37-42)54-25-8-4-20-46(54)51-23-11-16-40-17-12-26-55(63)62(40)51;1-2-18-44-39(14-1)15-13-28-57(44)64(42-31-34-49-48-21-5-9-27-58(48)65(59(49)37-42)43-32-35-51-50-22-6-10-29-60(50)66-61(51)38-43)41-30-33-47-45-19-3-7-24-53(45)63(56(47)36-41)54-25-8-4-20-46(54)52-23-11-16-40-17-12-26-55(63)62(40)52/h4*1-38H
InChIKeyVKMGUIQPAIIBDL-UHFFFAOYSA-N
XLogP69.09
TPSA32.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms264
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003420.31
LogP ≤ 569.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine?
The IUPAC name of N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine (CID 165082920) is N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine is c1ccc2c(c1)-c1ccc(N(c3ccc4c5ccccc5n(-c5ccc6c(c5)sc5ccccc56)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)-c1ccc(N(c3ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)-c1ccc(N(c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)c3cccc4sc5ccccc5c34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)-c1ccc(N(c3ccc4c5ccccc5n(-c5cccc6sc7ccccc7c56)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.
What is the InChIKey of N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine?
The InChIKey is VKMGUIQPAIIBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C63H38N2S/c1-2-19-43-39(15-1)16-13-29-55(43)65-56-28-9-5-22-47(56)48-36-34-42(38-58(48)65)64(57-30-14-32-60-62(57)50-23-6-10-31-59(50)66-60)41-33-35-46-44-20-3-7-25-51(44)63(54(46)37-41)52-26-8-4-21-45(52)49-24-11-17-40-18-12-27-53(63)61(40)49;1-2-19-43-39(15-1)16-13-29-55(43)64(42-34-36-48-47-22-5-9-28-56(47)65(58(48)38-42)57-30-14-32-60-62(57)50-23-6-10-31-59(50)66-60)41-33-35-46-44-20-3-7-25-51(44)63(54(46)37-41)52-26-8-4-21-45(52)49-24-11-17-40-18-12-27-53(63)61(40)49;1-2-18-44-39(14-1)15-13-28-57(44)64(43-31-34-49-48-21-5-9-27-58(48)65(59(49)38-43)41-32-35-61-52(36-41)50-22-6-10-29-60(50)66-61)42-30-33-47-45-19-3-7-24-53(45)63(56(47)37-42)54-25-8-4-20-46(54)51-23-11-16-40-17-12-26-55(63)62(40)51;1-2-18-44-39(14-1)15-13-28-57(44)64(42-31-34-49-48-21-5-9-27-58(48)65(59(49)37-42)43-32-35-51-50-22-6-10-29-60(50)66-61(51)38-43)41-30-33-47-45-19-3-7-24-53(45)63(56(47)36-41)54-25-8-4-20-46(54)52-23-11-16-40-17-12-26-55(63)62(40)52/h4*1-38H.
What are the key properties of N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine?
N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine has a molecular weight of 3420.31 g/mol, XLogP of 69.09, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine is sourced from PubChem (CID 165082920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).