9-[4-[2-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-yl]phenyl]carbazole;N,N-diphenyl-4-[10'-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-yl]aniline;N,N-diphenyl-2-[4-(N-(4-phenylphenyl)anilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine

C252H164N8S4 — CID 161450078

IUPAC9-[4-[2-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-yl]phenyl]carbazole;N,N-diphenyl-4-[10'-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-yl]aniline;N,N-diphenyl-2-[4-(N-(4-phenylphenyl)anilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5cccc(N(c6ccccc6)c6ccccc6)c5-c5c4sc4ccccc54)cc3)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3C3(c5ccccc5-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc53)c3sc5ccccc5c3-4)c2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3-c3ccccc3C43c4cccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4-c4c3sc3ccccc43)cc2)cc1.c1ccc2c(c1)-c1ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc1C21c2sc3ccccc3c2-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c21
InChIInChI=1S/C63H38N2S.3C63H42N2S/c1-7-22-53-45(14-1)46-37-32-41(39-28-33-42(34-29-39)64-55-23-8-2-15-47(55)48-16-3-9-24-56(48)64)38-54(46)63(53)61-44(20-13-21-52(61)60-51-19-6-12-27-59(51)66-62(60)63)40-30-35-43(36-31-40)65-57-25-10-4-17-49(57)50-18-5-11-26-58(50)65;1-5-19-43(20-6-1)45-21-17-28-51(41-45)65(49-26-11-4-12-27-49)58-33-18-31-55-60-54-30-14-16-34-59(54)66-62(60)63(61(55)58)56-32-15-13-29-52(56)53-40-37-46(42-57(53)63)44-35-38-50(39-36-44)64(47-22-7-2-8-23-47)48-24-9-3-10-25-48;1-5-19-45(20-6-1)64(46-21-7-2-8-22-46)49-39-35-43(36-40-49)51-29-17-32-56-59(51)53-27-13-15-31-55(53)63(56)57-33-18-30-52(60(57)61-54-28-14-16-34-58(54)66-62(61)63)44-37-41-50(42-38-44)65(47-23-9-3-10-24-47)48-25-11-4-12-26-48;1-5-18-43(19-6-1)44-32-37-50(38-33-44)64(47-20-7-2-8-21-47)51-39-34-45(35-40-51)46-36-41-53-52-26-13-15-28-55(52)63(57(53)42-46)56-29-17-30-58(61(56)60-54-27-14-16-31-59(54)66-62(60)63)65(48-22-9-3-10-23-48)49-24-11-4-12-25-49/h1-38H;3*1-42H
InChIKeyWAKLSVRIJRAHMJ-UHFFFAOYSA-N
MW3432.41 g/mol
LogP69.33
Rot. Bonds28

About 9-[4-[2-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-yl]phenyl]carbazole;N,N-diphenyl-4-[10'-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-yl]aniline;N,N-diphenyl-2-[4-(N-(4-phenylphenyl)anilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine

9-[4-[2-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-yl]phenyl]carbazole;N,N-diphenyl-4-[10'-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-yl]aniline;N,N-diphenyl-2-[4-(N-(4-phenylphenyl)anilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine (PubChem CID 161450078) has the molecular formula C252H164N8S4 and a molecular weight of 3432.41 g/mol. Its IUPAC name is 9-[4-[2-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-yl]phenyl]carbazole;N,N-diphenyl-4-[10'-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-yl]aniline;N,N-diphenyl-2-[4-(N-(4-phenylphenyl)anilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine.

Molecular Properties

Compound Name9-[4-[2-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-yl]phenyl]carbazole;N,N-diphenyl-4-[10'-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-yl]aniline;N,N-diphenyl-2-[4-(N-(4-phenylphenyl)anilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine
PubChem CID161450078
Molecular FormulaC252H164N8S4
Molecular Weight3432.41 g/mol
Exact Mass3429.20
IUPAC Name9-[4-[2-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-yl]phenyl]carbazole;N,N-diphenyl-4-[10'-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-yl]aniline;N,N-diphenyl-2-[4-(N-(4-phenylphenyl)anilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5cccc(N(c6ccccc6)c6ccccc6)c5-c5c4sc4ccccc54)cc3)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3C3(c5ccccc5-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc53)c3sc5ccccc5c3-4)c2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3-c3ccccc3C43c4cccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4-c4c3sc3ccccc43)cc2)cc1.c1ccc2c(c1)-c1ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc1C21c2sc3ccccc3c2-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c21
InChIInChI=1S/C63H38N2S.3C63H42N2S/c1-7-22-53-45(14-1)46-37-32-41(39-28-33-42(34-29-39)64-55-23-8-2-15-47(55)48-16-3-9-24-56(48)64)38-54(46)63(53)61-44(20-13-21-52(61)60-51-19-6-12-27-59(51)66-62(60)63)40-30-35-43(36-31-40)65-57-25-10-4-17-49(57)50-18-5-11-26-58(50)65;1-5-19-43(20-6-1)45-21-17-28-51(41-45)65(49-26-11-4-12-27-49)58-33-18-31-55-60-54-30-14-16-34-59(54)66-62(60)63(61(55)58)56-32-15-13-29-52(56)53-40-37-46(42-57(53)63)44-35-38-50(39-36-44)64(47-22-7-2-8-23-47)48-24-9-3-10-25-48;1-5-19-45(20-6-1)64(46-21-7-2-8-22-46)49-39-35-43(36-40-49)51-29-17-32-56-59(51)53-27-13-15-31-55(53)63(56)57-33-18-30-52(60(57)61-54-28-14-16-34-58(54)66-62(61)63)44-37-41-50(42-38-44)65(47-23-9-3-10-24-47)48-25-11-4-12-26-48;1-5-18-43(19-6-1)44-32-37-50(38-33-44)64(47-20-7-2-8-21-47)51-39-34-45(35-40-51)46-36-41-53-52-26-13-15-28-55(52)63(57(53)42-46)56-29-17-30-58(61(56)60-54-27-14-16-31-59(54)66-62(60)63)65(48-22-9-3-10-23-48)49-24-11-4-12-25-49/h1-38H;3*1-42H
InChIKeyWAKLSVRIJRAHMJ-UHFFFAOYSA-N
XLogP69.33
TPSA29.30 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms264
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003432.41
LogP ≤ 569.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[4-[2-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-yl]phenyl]carbazole;N,N-diphenyl-4-[10'-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-yl]aniline;N,N-diphenyl-2-[4-(N-(4-phenylphenyl)anilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-yl]phenyl]carbazole;N,N-diphenyl-4-[10'-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-yl]aniline;N,N-diphenyl-2-[4-(N-(4-phenylphenyl)anilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine?
The IUPAC name of 9-[4-[2-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-yl]phenyl]carbazole;N,N-diphenyl-4-[10'-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-yl]aniline;N,N-diphenyl-2-[4-(N-(4-phenylphenyl)anilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine (CID 161450078) is 9-[4-[2-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-yl]phenyl]carbazole;N,N-diphenyl-4-[10'-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-yl]aniline;N,N-diphenyl-2-[4-(N-(4-phenylphenyl)anilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine.
What is the SMILES notation for 9-[4-[2-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-yl]phenyl]carbazole;N,N-diphenyl-4-[10'-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-yl]aniline;N,N-diphenyl-2-[4-(N-(4-phenylphenyl)anilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine?
The canonical SMILES for 9-[4-[2-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-yl]phenyl]carbazole;N,N-diphenyl-4-[10'-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-yl]aniline;N,N-diphenyl-2-[4-(N-(4-phenylphenyl)anilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5cccc(N(c6ccccc6)c6ccccc6)c5-c5c4sc4ccccc54)cc3)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3C3(c5ccccc5-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc53)c3sc5ccccc5c3-4)c2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3-c3ccccc3C43c4cccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4-c4c3sc3ccccc43)cc2)cc1.c1ccc2c(c1)-c1ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc1C21c2sc3ccccc3c2-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c21.
What is the InChIKey of 9-[4-[2-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-yl]phenyl]carbazole;N,N-diphenyl-4-[10'-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-yl]aniline;N,N-diphenyl-2-[4-(N-(4-phenylphenyl)anilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine?
The InChIKey is WAKLSVRIJRAHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N2S.3C63H42N2S/c1-7-22-53-45(14-1)46-37-32-41(39-28-33-42(34-29-39)64-55-23-8-2-15-47(55)48-16-3-9-24-56(48)64)38-54(46)63(53)61-44(20-13-21-52(61)60-51-19-6-12-27-59(51)66-62(60)63)40-30-35-43(36-31-40)65-57-25-10-4-17-49(57)50-18-5-11-26-58(50)65;1-5-19-43(20-6-1)45-21-17-28-51(41-45)65(49-26-11-4-12-27-49)58-33-18-31-55-60-54-30-14-16-34-59(54)66-62(60)63(61(55)58)56-32-15-13-29-52(56)53-40-37-46(42-57(53)63)44-35-38-50(39-36-44)64(47-22-7-2-8-23-47)48-24-9-3-10-25-48;1-5-19-45(20-6-1)64(46-21-7-2-8-22-46)49-39-35-43(36-40-49)51-29-17-32-56-59(51)53-27-13-15-31-55(53)63(56)57-33-18-30-52(60(57)61-54-28-14-16-34-58(54)66-62(61)63)44-37-41-50(42-38-44)65(47-23-9-3-10-24-47)48-25-11-4-12-26-48;1-5-18-43(19-6-1)44-32-37-50(38-33-44)64(47-20-7-2-8-21-47)51-39-34-45(35-40-51)46-36-41-53-52-26-13-15-28-55(52)63(57(53)42-46)56-29-17-30-58(61(56)60-54-27-14-16-31-59(54)66-62(60)63)65(48-22-9-3-10-23-48)49-24-11-4-12-25-49/h1-38H;3*1-42H.
What are the key properties of 9-[4-[2-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-yl]phenyl]carbazole;N,N-diphenyl-4-[10'-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-yl]aniline;N,N-diphenyl-2-[4-(N-(4-phenylphenyl)anilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine?
9-[4-[2-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-yl]phenyl]carbazole;N,N-diphenyl-4-[10'-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-yl]aniline;N,N-diphenyl-2-[4-(N-(4-phenylphenyl)anilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine has a molecular weight of 3432.41 g/mol, XLogP of 69.33, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-yl]phenyl]carbazole;N,N-diphenyl-4-[10'-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-yl]aniline;N,N-diphenyl-2-[4-(N-(4-phenylphenyl)anilino)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine is sourced from PubChem (CID 161450078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).