8-N'-(9,9-dimethylfluoren-2-yl)-4-N,4-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine;4-N,9-N'-dinaphthalen-2-yl-4-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,9'-diamine;1-N,1-N-diphenyl-8-N'-(3-phenylphenyl)-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine;methane

C189H130N6S3 — CID 157069733

IUPAC8-N'-(9,9-dimethylfluoren-2-yl)-4-N,4-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine;4-N,9-N'-dinaphthalen-2-yl-4-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,9'-diamine;1-N,1-N-diphenyl-8-N'-(3-phenylphenyl)-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine;methane
SMILESC.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5c(N(c6ccccc6)c6ccccc6)cccc53)c3sc5ccccc5c3-4)cc21.c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)C3(c5ccccc5-c5cccc(N(c6ccccc6)c6ccccc6)c53)c3sc5ccccc5c3-4)cc2)cc1.c1ccc(N(c2ccc3c(c2)-c2c(sc4ccccc24)C32c3ccccc3-c3c(N(c4ccccc4)c4ccc5ccccc5c4)cccc32)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C66H46N2S.C63H42N2S.C59H38N2S.CH4/c1-65(2)55-28-15-12-25-50(55)51-39-37-48(41-58(51)65)67(47-35-33-44(34-36-47)43-19-6-3-7-20-43)49-38-40-53-59(42-49)66(64-62(53)54-27-14-17-32-61(54)69-64)56-29-16-13-26-52(56)63-57(66)30-18-31-60(63)68(45-21-8-4-9-22-45)46-23-10-5-11-24-46;1-5-19-43(20-6-1)45-35-37-49(38-36-45)64(50-28-17-23-46(41-50)44-21-7-2-8-22-44)51-39-40-54-57(42-51)63(62-60(54)55-30-14-16-34-59(55)66-62)56-32-15-13-29-52(56)53-31-18-33-58(61(53)63)65(47-24-9-3-10-25-47)48-26-11-4-12-27-48;1-3-20-43(21-4-1)60(45-32-30-39-16-7-9-18-41(39)36-45)47-34-35-52-50(38-47)56-49-25-12-14-29-55(49)62-58(56)59(52)51-26-13-11-24-48(51)57-53(59)27-15-28-54(57)61(44-22-5-2-6-23-44)46-33-31-40-17-8-10-19-42(40)37-46;/h3-42H,1-2H3;1-42H;1-38H;1H4
InChIKeyACHAYSFBKIPXKW-UHFFFAOYSA-N
MW2581.36 g/mol
LogP52.80
Rot. Bonds21

About 8-N'-(9,9-dimethylfluoren-2-yl)-4-N,4-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine;4-N,9-N'-dinaphthalen-2-yl-4-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,9'-diamine;1-N,1-N-diphenyl-8-N'-(3-phenylphenyl)-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine;methane

8-N'-(9,9-dimethylfluoren-2-yl)-4-N,4-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine;4-N,9-N'-dinaphthalen-2-yl-4-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,9'-diamine;1-N,1-N-diphenyl-8-N'-(3-phenylphenyl)-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine;methane (PubChem CID 157069733) has the molecular formula C189H130N6S3 and a molecular weight of 2581.36 g/mol. Its IUPAC name is 8-N'-(9,9-dimethylfluoren-2-yl)-4-N,4-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine;4-N,9-N'-dinaphthalen-2-yl-4-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,9'-diamine;1-N,1-N-diphenyl-8-N'-(3-phenylphenyl)-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine;methane.

Molecular Properties

Compound Name8-N'-(9,9-dimethylfluoren-2-yl)-4-N,4-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine;4-N,9-N'-dinaphthalen-2-yl-4-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,9'-diamine;1-N,1-N-diphenyl-8-N'-(3-phenylphenyl)-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine;methane
PubChem CID157069733
Molecular FormulaC189H130N6S3
Molecular Weight2581.36 g/mol
Exact Mass2578.95
IUPAC Name8-N'-(9,9-dimethylfluoren-2-yl)-4-N,4-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine;4-N,9-N'-dinaphthalen-2-yl-4-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,9'-diamine;1-N,1-N-diphenyl-8-N'-(3-phenylphenyl)-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine;methane
SMILESC.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5c(N(c6ccccc6)c6ccccc6)cccc53)c3sc5ccccc5c3-4)cc21.c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)C3(c5ccccc5-c5cccc(N(c6ccccc6)c6ccccc6)c53)c3sc5ccccc5c3-4)cc2)cc1.c1ccc(N(c2ccc3c(c2)-c2c(sc4ccccc24)C32c3ccccc3-c3c(N(c4ccccc4)c4ccc5ccccc5c4)cccc32)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C66H46N2S.C63H42N2S.C59H38N2S.CH4/c1-65(2)55-28-15-12-25-50(55)51-39-37-48(41-58(51)65)67(47-35-33-44(34-36-47)43-19-6-3-7-20-43)49-38-40-53-59(42-49)66(64-62(53)54-27-14-17-32-61(54)69-64)56-29-16-13-26-52(56)63-57(66)30-18-31-60(63)68(45-21-8-4-9-22-45)46-23-10-5-11-24-46;1-5-19-43(20-6-1)45-35-37-49(38-36-45)64(50-28-17-23-46(41-50)44-21-7-2-8-22-44)51-39-40-54-57(42-51)63(62-60(54)55-30-14-16-34-59(55)66-62)56-32-15-13-29-52(56)53-31-18-33-58(61(53)63)65(47-24-9-3-10-25-47)48-26-11-4-12-27-48;1-3-20-43(21-4-1)60(45-32-30-39-16-7-9-18-41(39)36-45)47-34-35-52-50(38-47)56-49-25-12-14-29-55(49)62-58(56)59(52)51-26-13-11-24-48(51)57-53(59)27-15-28-54(57)61(44-22-5-2-6-23-44)46-33-31-40-17-8-10-19-42(40)37-46;/h3-42H,1-2H3;1-42H;1-38H;1H4
InChIKeyACHAYSFBKIPXKW-UHFFFAOYSA-N
XLogP52.80
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms198
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002581.36
LogP ≤ 552.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 8-N'-(9,9-dimethylfluoren-2-yl)-4-N,4-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine;4-N,9-N'-dinaphthalen-2-yl-4-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,9'-diamine;1-N,1-N-diphenyl-8-N'-(3-phenylphenyl)-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine;methane with MolForge

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Related Compounds

9-N'-naphthalen-1-yl-2-N-naphthalen-2-yl-2-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,9'-diamine
CID 134530034
1-N-naphthalen-1-yl-1-N,8-N'-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine
CID 134530028
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine;N-phenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yldibenzofuran-3-amine
CID 159179975
8-N'-naphthalen-1-yl-2-N-naphthalen-2-yl-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529815
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine
CID 134551462
N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine
CID 134530054
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 159131149
2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529814
2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;2-N'-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-2-N'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',3-diamine;1-N-naphthalen-1-yl-1-N,2-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1,2'-diamine;3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(3-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;4-N-naphthalen-1-yl-2-N',2-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine;4-N-naphthalen-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine
CID 161041581
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 159277713
2-N-phenyl-2-N,8-N',8-N'-tris(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529798

Frequently Asked Questions

What is the IUPAC name of 8-N'-(9,9-dimethylfluoren-2-yl)-4-N,4-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine;4-N,9-N'-dinaphthalen-2-yl-4-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,9'-diamine;1-N,1-N-diphenyl-8-N'-(3-phenylphenyl)-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine;methane?
The IUPAC name of 8-N'-(9,9-dimethylfluoren-2-yl)-4-N,4-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine;4-N,9-N'-dinaphthalen-2-yl-4-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,9'-diamine;1-N,1-N-diphenyl-8-N'-(3-phenylphenyl)-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine;methane (CID 157069733) is 8-N'-(9,9-dimethylfluoren-2-yl)-4-N,4-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine;4-N,9-N'-dinaphthalen-2-yl-4-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,9'-diamine;1-N,1-N-diphenyl-8-N'-(3-phenylphenyl)-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine;methane.
What is the SMILES notation for 8-N'-(9,9-dimethylfluoren-2-yl)-4-N,4-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine;4-N,9-N'-dinaphthalen-2-yl-4-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,9'-diamine;1-N,1-N-diphenyl-8-N'-(3-phenylphenyl)-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine;methane?
The canonical SMILES for 8-N'-(9,9-dimethylfluoren-2-yl)-4-N,4-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine;4-N,9-N'-dinaphthalen-2-yl-4-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,9'-diamine;1-N,1-N-diphenyl-8-N'-(3-phenylphenyl)-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine;methane is C.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5c(N(c6ccccc6)c6ccccc6)cccc53)c3sc5ccccc5c3-4)cc21.c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)C3(c5ccccc5-c5cccc(N(c6ccccc6)c6ccccc6)c53)c3sc5ccccc5c3-4)cc2)cc1.c1ccc(N(c2ccc3c(c2)-c2c(sc4ccccc24)C32c3ccccc3-c3c(N(c4ccccc4)c4ccc5ccccc5c4)cccc32)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 8-N'-(9,9-dimethylfluoren-2-yl)-4-N,4-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine;4-N,9-N'-dinaphthalen-2-yl-4-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,9'-diamine;1-N,1-N-diphenyl-8-N'-(3-phenylphenyl)-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine;methane?
The InChIKey is ACHAYSFBKIPXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2S.C63H42N2S.C59H38N2S.CH4/c1-65(2)55-28-15-12-25-50(55)51-39-37-48(41-58(51)65)67(47-35-33-44(34-36-47)43-19-6-3-7-20-43)49-38-40-53-59(42-49)66(64-62(53)54-27-14-17-32-61(54)69-64)56-29-16-13-26-52(56)63-57(66)30-18-31-60(63)68(45-21-8-4-9-22-45)46-23-10-5-11-24-46;1-5-19-43(20-6-1)45-35-37-49(38-36-45)64(50-28-17-23-46(41-50)44-21-7-2-8-22-44)51-39-40-54-57(42-51)63(62-60(54)55-30-14-16-34-59(55)66-62)56-32-15-13-29-52(56)53-31-18-33-58(61(53)63)65(47-24-9-3-10-25-47)48-26-11-4-12-27-48;1-3-20-43(21-4-1)60(45-32-30-39-16-7-9-18-41(39)36-45)47-34-35-52-50(38-47)56-49-25-12-14-29-55(49)62-58(56)59(52)51-26-13-11-24-48(51)57-53(59)27-15-28-54(57)61(44-22-5-2-6-23-44)46-33-31-40-17-8-10-19-42(40)37-46;/h3-42H,1-2H3;1-42H;1-38H;1H4.
What are the key properties of 8-N'-(9,9-dimethylfluoren-2-yl)-4-N,4-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine;4-N,9-N'-dinaphthalen-2-yl-4-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,9'-diamine;1-N,1-N-diphenyl-8-N'-(3-phenylphenyl)-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine;methane?
8-N'-(9,9-dimethylfluoren-2-yl)-4-N,4-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine;4-N,9-N'-dinaphthalen-2-yl-4-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,9'-diamine;1-N,1-N-diphenyl-8-N'-(3-phenylphenyl)-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine;methane has a molecular weight of 2581.36 g/mol, XLogP of 52.80, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N'-(9,9-dimethylfluoren-2-yl)-4-N,4-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine;4-N,9-N'-dinaphthalen-2-yl-4-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,9'-diamine;1-N,1-N-diphenyl-8-N'-(3-phenylphenyl)-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine;methane is sourced from PubChem (CID 157069733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).