N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine

C234H164N4S4 — CID 158728666

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(C)(C)c4ccccc43)c3cccc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c3cccc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4sc4ccccc45)cc32)c2ccccc21.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C65H45NS.C62H41NS.C55H41NS.C52H37NS/c1-63(2)51-27-12-9-24-46(51)48-38-36-44(40-57(48)63)66(59-33-19-35-61-62(59)50-26-11-18-34-60(50)67-61)45-37-39-49-47-25-10-13-28-52(47)65(58(49)41-45)55-31-16-14-29-53(55)64(42-20-5-3-6-21-42,43-22-7-4-8-23-43)54-30-15-17-32-56(54)65;1-4-19-42(20-5-1)43-35-37-46(38-36-43)63(58-33-18-27-51-50-26-11-17-34-59(50)64-60(51)58)47-39-40-49-48-25-10-12-28-52(48)62(57(49)41-47)55-31-15-13-29-53(55)61(44-21-6-2-7-22-44,45-23-8-3-9-24-45)54-30-14-16-32-56(54)62;1-53(2)41-19-8-5-16-36(41)38-30-28-34(32-47(38)53)56(49-25-15-27-51-52(49)40-18-7-14-26-50(40)57-51)35-29-31-39-37-17-6-9-20-42(37)55(48(39)33-35)45-23-12-10-21-43(45)54(3,4)44-22-11-13-24-46(44)55;1-51(2)43-21-9-11-23-45(43)52(46-24-12-10-22-44(46)51)42-20-8-6-17-38(42)39-32-31-37(33-47(39)52)53(36-29-27-35(28-30-36)34-15-4-3-5-16-34)48-25-14-19-41-40-18-7-13-26-49(40)54-50(41)48/h3-41H,1-2H3;1-41H;5-33H,1-4H3;3-33H,1-2H3
InChIKeyIKVBODJZEXDKJR-UHFFFAOYSA-N
MW3160.18 g/mol
LogP62.17
Rot. Bonds18

About N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 158728666) has the molecular formula C234H164N4S4 and a molecular weight of 3160.18 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
PubChem CID158728666
Molecular FormulaC234H164N4S4
Molecular Weight3160.18 g/mol
Exact Mass3157.18
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(C)(C)c4ccccc43)c3cccc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c3cccc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4sc4ccccc45)cc32)c2ccccc21.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C65H45NS.C62H41NS.C55H41NS.C52H37NS/c1-63(2)51-27-12-9-24-46(51)48-38-36-44(40-57(48)63)66(59-33-19-35-61-62(59)50-26-11-18-34-60(50)67-61)45-37-39-49-47-25-10-13-28-52(47)65(58(49)41-45)55-31-16-14-29-53(55)64(42-20-5-3-6-21-42,43-22-7-4-8-23-43)54-30-15-17-32-56(54)65;1-4-19-42(20-5-1)43-35-37-46(38-36-43)63(58-33-18-27-51-50-26-11-17-34-59(50)64-60(51)58)47-39-40-49-48-25-10-12-28-52(48)62(57(49)41-47)55-31-15-13-29-53(55)61(44-21-6-2-7-22-44,45-23-8-3-9-24-45)54-30-14-16-32-56(54)62;1-53(2)41-19-8-5-16-36(41)38-30-28-34(32-47(38)53)56(49-25-15-27-51-52(49)40-18-7-14-26-50(40)57-51)35-29-31-39-37-17-6-9-20-42(37)55(48(39)33-35)45-23-12-10-21-43(45)54(3,4)44-22-11-13-24-46(44)55;1-51(2)43-21-9-11-23-45(43)52(46-24-12-10-22-44(46)51)42-20-8-6-17-38(42)39-32-31-37(33-47(39)52)53(36-29-27-35(28-30-36)34-15-4-3-5-16-34)48-25-14-19-41-40-18-7-13-26-49(40)54-50(41)48/h3-41H,1-2H3;1-41H;5-33H,1-4H3;3-33H,1-2H3
InChIKeyIKVBODJZEXDKJR-UHFFFAOYSA-N
XLogP62.17
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms242
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003160.18
LogP ≤ 562.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine (CID 158728666) is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(C)(C)c4ccccc43)c3cccc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c3cccc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4sc4ccccc45)cc32)c2ccccc21.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is IKVBODJZEXDKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45NS.C62H41NS.C55H41NS.C52H37NS/c1-63(2)51-27-12-9-24-46(51)48-38-36-44(40-57(48)63)66(59-33-19-35-61-62(59)50-26-11-18-34-60(50)67-61)45-37-39-49-47-25-10-13-28-52(47)65(58(49)41-45)55-31-16-14-29-53(55)64(42-20-5-3-6-21-42,43-22-7-4-8-23-43)54-30-15-17-32-56(54)65;1-4-19-42(20-5-1)43-35-37-46(38-36-43)63(58-33-18-27-51-50-26-11-17-34-59(50)64-60(51)58)47-39-40-49-48-25-10-12-28-52(48)62(57(49)41-47)55-31-15-13-29-53(55)61(44-21-6-2-7-22-44,45-23-8-3-9-24-45)54-30-14-16-32-56(54)62;1-53(2)41-19-8-5-16-36(41)38-30-28-34(32-47(38)53)56(49-25-15-27-51-52(49)40-18-7-14-26-50(40)57-51)35-29-31-39-37-17-6-9-20-42(37)55(48(39)33-35)45-23-12-10-21-43(45)54(3,4)44-22-11-13-24-46(44)55;1-51(2)43-21-9-11-23-45(43)52(46-24-12-10-22-44(46)51)42-20-8-6-17-38(42)39-32-31-37(33-47(39)52)53(36-29-27-35(28-30-36)34-15-4-3-5-16-34)48-25-14-19-41-40-18-7-13-26-49(40)54-50(41)48/h3-41H,1-2H3;1-41H;5-33H,1-4H3;3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 3160.18 g/mol, XLogP of 62.17, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 158728666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).