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

C252H152N8O4S4 — CID 165077134

IUPACN-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
SMILESc1ccc2c(c1)Oc1ccc(N(c3ccc4c5ccccc5n(-c5ccc6c(c5)sc5ccccc56)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)Oc1ccc(N(c3ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)Oc1ccc(N(c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)c3cccc4sc5ccccc5c34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)Oc1ccc(N(c3ccc4c5ccccc5n(-c5cccc6sc7ccccc7c56)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/4C63H38N2OS/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(55-29-14-32-60-62(55)48-22-5-10-31-59(48)67-60)41-34-36-58-52(37-41)63(50-25-7-9-30-57(50)66-58)49-24-6-3-20-44(49)47-23-11-17-40-18-12-26-51(63)61(40)47;1-2-19-43-39(15-1)16-13-28-53(43)64(42-33-35-46-45-21-4-8-27-54(45)65(56(46)38-42)55-29-14-32-60-62(55)48-22-5-10-31-59(48)67-60)41-34-36-58-52(37-41)63(50-25-7-9-30-57(50)66-58)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(43-30-33-47-46-20-4-8-26-56(46)65(57(47)38-43)41-32-35-61-50(36-41)48-21-5-10-29-60(48)67-61)42-31-34-59-54(37-42)63(52-24-7-9-28-58(52)66-59)51-23-6-3-19-45(51)49-22-11-16-40-17-12-25-53(63)62(40)49;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)43-31-34-49-48-21-5-10-29-60(48)67-61(49)38-43)41-32-35-59-54(36-41)63(52-24-7-9-28-58(52)66-59)51-23-6-3-19-45(51)50-22-11-16-40-17-12-25-53(63)62(40)50/h4*1-38H
InChIKeyUMMFVOFEUHZQHY-UHFFFAOYSA-N
MW3484.31 g/mol
LogP69.59
Rot. Bonds16

About 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

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 (PubChem CID 165077134) has the molecular formula C252H152N8O4S4 and a molecular weight of 3484.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID165077134
Molecular FormulaC252H152N8O4S4
Molecular Weight3484.31 g/mol
Exact Mass3481.08
IUPAC NameN-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
SMILESc1ccc2c(c1)Oc1ccc(N(c3ccc4c5ccccc5n(-c5ccc6c(c5)sc5ccccc56)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)Oc1ccc(N(c3ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)Oc1ccc(N(c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)c3cccc4sc5ccccc5c34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)Oc1ccc(N(c3ccc4c5ccccc5n(-c5cccc6sc7ccccc7c56)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/4C63H38N2OS/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(55-29-14-32-60-62(55)48-22-5-10-31-59(48)67-60)41-34-36-58-52(37-41)63(50-25-7-9-30-57(50)66-58)49-24-6-3-20-44(49)47-23-11-17-40-18-12-26-51(63)61(40)47;1-2-19-43-39(15-1)16-13-28-53(43)64(42-33-35-46-45-21-4-8-27-54(45)65(56(46)38-42)55-29-14-32-60-62(55)48-22-5-10-31-59(48)67-60)41-34-36-58-52(37-41)63(50-25-7-9-30-57(50)66-58)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(43-30-33-47-46-20-4-8-26-56(46)65(57(47)38-43)41-32-35-61-50(36-41)48-21-5-10-29-60(48)67-61)42-31-34-59-54(37-42)63(52-24-7-9-28-58(52)66-59)51-23-6-3-19-45(51)49-22-11-16-40-17-12-25-53(63)62(40)49;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)43-31-34-49-48-21-5-10-29-60(48)67-61(49)38-43)41-32-35-59-54(36-41)63(52-24-7-9-28-58(52)66-59)51-23-6-3-19-45(51)50-22-11-16-40-17-12-25-53(63)62(40)50/h4*1-38H
InChIKeyUMMFVOFEUHZQHY-UHFFFAOYSA-N
XLogP69.59
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms268
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003484.31
LogP ≤ 569.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 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'-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)Oc1ccc(N(c3ccc4c5ccccc5n(-c5ccc6c(c5)sc5ccccc56)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)Oc1ccc(N(c3ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c3)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)Oc1ccc(N(c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)c3cccc4sc5ccccc5c34)cc1C21c2ccccc2-c2cccc3cccc1c23.c1ccc2c(c1)Oc1ccc(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'-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?
The InChIKey is UMMFVOFEUHZQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C63H38N2OS/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(55-29-14-32-60-62(55)48-22-5-10-31-59(48)67-60)41-34-36-58-52(37-41)63(50-25-7-9-30-57(50)66-58)49-24-6-3-20-44(49)47-23-11-17-40-18-12-26-51(63)61(40)47;1-2-19-43-39(15-1)16-13-28-53(43)64(42-33-35-46-45-21-4-8-27-54(45)65(56(46)38-42)55-29-14-32-60-62(55)48-22-5-10-31-59(48)67-60)41-34-36-58-52(37-41)63(50-25-7-9-30-57(50)66-58)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(43-30-33-47-46-20-4-8-26-56(46)65(57(47)38-43)41-32-35-61-50(36-41)48-21-5-10-29-60(48)67-61)42-31-34-59-54(37-42)63(52-24-7-9-28-58(52)66-59)51-23-6-3-19-45(51)49-22-11-16-40-17-12-25-53(63)62(40)49;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)43-31-34-49-48-21-5-10-29-60(48)67-61(49)38-43)41-32-35-59-54(36-41)63(52-24-7-9-28-58(52)66-59)51-23-6-3-19-45(51)50-22-11-16-40-17-12-25-53(63)62(40)50/h4*1-38H.
What are the key properties of 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?
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 has a molecular weight of 3484.31 g/mol, XLogP of 69.59, 16 rotatable bonds, 0 hydrogen bond donors, and 16 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'-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 is sourced from PubChem (CID 165077134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).