6-[3-(N-[3'-(4-carbazol-9-ylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-yl]anilino)phenyl]-4-N,4-N,10-N',10-N'-tetraphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,10'-diamine

C108H68N4OS — CID 166667582

IUPAC6-[3-(N-[3'-(4-carbazol-9-ylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-yl]anilino)phenyl]-4-N,4-N,10-N',10-N'-tetraphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,10'-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2-c2cc(-c4cccc(N(c5ccccc5)c5cccc6c5C5(c7ccccc7-6)c6ccc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cc6-c6sc7ccccc7c65)c4)ccc2C32c3cccc(N(c4ccccc4)c4ccccc4)c3-c3c2oc2ccccc32)cc1
InChIInChI=1S/C108H68N4OS/c1-6-31-73(32-7-1)109(74-33-8-2-9-34-74)95-53-28-49-91-100(95)86-67-72(61-64-89(86)107(91)92-50-29-54-96(102(92)101-84-45-19-24-56-98(84)113-106(101)107)110(75-35-10-3-11-36-75)76-37-12-4-13-38-76)70-30-26-41-79(66-70)111(77-39-14-5-15-40-77)97-55-27-47-83-80-42-16-21-48-88(80)108(103(83)97)90-65-60-71(68-87(90)105-104(108)85-46-20-25-57-99(85)114-105)69-58-62-78(63-59-69)112-93-51-22-17-43-81(93)82-44-18-23-52-94(82)112/h1-68H
InChIKeyBTUNDOMULHLFSU-UHFFFAOYSA-N
MW1469.83 g/mol
LogP29.17
Rot. Bonds12

About 6-[3-(N-[3'-(4-carbazol-9-ylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-yl]anilino)phenyl]-4-N,4-N,10-N',10-N'-tetraphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,10'-diamine

6-[3-(N-[3'-(4-carbazol-9-ylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-yl]anilino)phenyl]-4-N,4-N,10-N',10-N'-tetraphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,10'-diamine (PubChem CID 166667582) has the molecular formula C108H68N4OS and a molecular weight of 1469.83 g/mol. Its IUPAC name is 6-[3-(N-[3'-(4-carbazol-9-ylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-yl]anilino)phenyl]-4-N,4-N,10-N',10-N'-tetraphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,10'-diamine.

Molecular Properties

Compound Name6-[3-(N-[3'-(4-carbazol-9-ylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-yl]anilino)phenyl]-4-N,4-N,10-N',10-N'-tetraphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,10'-diamine
PubChem CID166667582
Molecular FormulaC108H68N4OS
Molecular Weight1469.83 g/mol
Exact Mass1468.51
IUPAC Name6-[3-(N-[3'-(4-carbazol-9-ylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-yl]anilino)phenyl]-4-N,4-N,10-N',10-N'-tetraphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,10'-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2-c2cc(-c4cccc(N(c5ccccc5)c5cccc6c5C5(c7ccccc7-6)c6ccc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cc6-c6sc7ccccc7c65)c4)ccc2C32c3cccc(N(c4ccccc4)c4ccccc4)c3-c3c2oc2ccccc32)cc1
InChIInChI=1S/C108H68N4OS/c1-6-31-73(32-7-1)109(74-33-8-2-9-34-74)95-53-28-49-91-100(95)86-67-72(61-64-89(86)107(91)92-50-29-54-96(102(92)101-84-45-19-24-56-98(84)113-106(101)107)110(75-35-10-3-11-36-75)76-37-12-4-13-38-76)70-30-26-41-79(66-70)111(77-39-14-5-15-40-77)97-55-27-47-83-80-42-16-21-48-88(80)108(103(83)97)90-65-60-71(68-87(90)105-104(108)85-46-20-25-57-99(85)114-105)69-58-62-78(63-59-69)112-93-51-22-17-43-81(93)82-44-18-23-52-94(82)112/h1-68H
InChIKeyBTUNDOMULHLFSU-UHFFFAOYSA-N
XLogP29.17
TPSA27.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001469.83
LogP ≤ 529.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[3-(N-[3'-(4-carbazol-9-ylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-yl]anilino)phenyl]-4-N,4-N,10-N',10-N'-tetraphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,10'-diamine with MolForge

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Related Compounds

2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;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
CID 158290591
9'-(4-carbazol-9-ylphenyl)-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1-amine;4-[3-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl]-N,N-diphenylaniline;methane
CID 159782771
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-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-amine
CID 134551310
N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine
CID 134551292
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
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine
CID 134529937
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424440
4-[3'-dibenzofuran-3-yl-6-phenyl-5'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-N,N-diphenylaniline;N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(3-phenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]aniline;N,N-diphenyl-4-[5'-[4-(N-phenylanilino)phenyl]-3',6-bis(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-4-yl]aniline
CID 160966632
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424255
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424581
N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-amine;4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)aniline;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)dibenzothiophen-2-amine;N-phenyl-N-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)dibenzothiophen-3-amine
CID 158462960

Frequently Asked Questions

What is the IUPAC name of 6-[3-(N-[3'-(4-carbazol-9-ylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-yl]anilino)phenyl]-4-N,4-N,10-N',10-N'-tetraphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,10'-diamine?
The IUPAC name of 6-[3-(N-[3'-(4-carbazol-9-ylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-yl]anilino)phenyl]-4-N,4-N,10-N',10-N'-tetraphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,10'-diamine (CID 166667582) is 6-[3-(N-[3'-(4-carbazol-9-ylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-yl]anilino)phenyl]-4-N,4-N,10-N',10-N'-tetraphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,10'-diamine.
What is the SMILES notation for 6-[3-(N-[3'-(4-carbazol-9-ylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-yl]anilino)phenyl]-4-N,4-N,10-N',10-N'-tetraphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,10'-diamine?
The canonical SMILES for 6-[3-(N-[3'-(4-carbazol-9-ylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-yl]anilino)phenyl]-4-N,4-N,10-N',10-N'-tetraphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,10'-diamine is c1ccc(N(c2ccccc2)c2cccc3c2-c2cc(-c4cccc(N(c5ccccc5)c5cccc6c5C5(c7ccccc7-6)c6ccc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cc6-c6sc7ccccc7c65)c4)ccc2C32c3cccc(N(c4ccccc4)c4ccccc4)c3-c3c2oc2ccccc32)cc1.
What is the InChIKey of 6-[3-(N-[3'-(4-carbazol-9-ylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-yl]anilino)phenyl]-4-N,4-N,10-N',10-N'-tetraphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,10'-diamine?
The InChIKey is BTUNDOMULHLFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H68N4OS/c1-6-31-73(32-7-1)109(74-33-8-2-9-34-74)95-53-28-49-91-100(95)86-67-72(61-64-89(86)107(91)92-50-29-54-96(102(92)101-84-45-19-24-56-98(84)113-106(101)107)110(75-35-10-3-11-36-75)76-37-12-4-13-38-76)70-30-26-41-79(66-70)111(77-39-14-5-15-40-77)97-55-27-47-83-80-42-16-21-48-88(80)108(103(83)97)90-65-60-71(68-87(90)105-104(108)85-46-20-25-57-99(85)114-105)69-58-62-78(63-59-69)112-93-51-22-17-43-81(93)82-44-18-23-52-94(82)112/h1-68H.
What are the key properties of 6-[3-(N-[3'-(4-carbazol-9-ylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-yl]anilino)phenyl]-4-N,4-N,10-N',10-N'-tetraphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,10'-diamine?
6-[3-(N-[3'-(4-carbazol-9-ylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-yl]anilino)phenyl]-4-N,4-N,10-N',10-N'-tetraphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,10'-diamine has a molecular weight of 1469.83 g/mol, XLogP of 29.17, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(N-[3'-(4-carbazol-9-ylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-yl]anilino)phenyl]-4-N,4-N,10-N',10-N'-tetraphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,10'-diamine is sourced from PubChem (CID 166667582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).