N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline

C60H45NS — CID 170143121

IUPACN-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)c3ccccc3-c3cccc4sc5ccccc5c34)cccc21
InChIInChI=1S/C60H45NS/c1-59(2)49-31-12-6-24-46(49)56-42(26-18-32-50(56)59)39-21-7-13-33-51(39)61(52-34-14-8-22-40(52)43-27-19-37-55-57(43)47-25-10-16-36-54(47)62-55)53-35-15-9-23-41(53)45-29-17-28-44-38-20-5-11-30-48(38)60(3,4)58(44)45/h5-37H,1-4H3
InChIKeyIVUCRYNMOPHVST-UHFFFAOYSA-N
MW812.09 g/mol
LogP17.14
Rot. Bonds6

About N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline

N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline (PubChem CID 170143121) has the molecular formula C60H45NS and a molecular weight of 812.09 g/mol. Its IUPAC name is N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline
PubChem CID170143121
Molecular FormulaC60H45NS
Molecular Weight812.09 g/mol
Exact Mass811.33
IUPAC NameN-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)c3ccccc3-c3cccc4sc5ccccc5c34)cccc21
InChIInChI=1S/C60H45NS/c1-59(2)49-31-12-6-24-46(49)56-42(26-18-32-50(56)59)39-21-7-13-33-51(39)61(52-34-14-8-22-40(52)43-27-19-37-55-57(43)47-25-10-16-36-54(47)62-55)53-35-15-9-23-41(53)45-29-17-28-44-38-20-5-11-30-48(38)60(3,4)58(44)45/h5-37H,1-4H3
InChIKeyIVUCRYNMOPHVST-UHFFFAOYSA-N
XLogP17.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.09
LogP ≤ 517.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 170140757
2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326460
N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine
CID 170143113
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenanthren-1-yldibenzothiophen-1-amine
CID 170138268
N-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine
CID 170665787
N-(2-dibenzothiophen-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-4-amine
CID 176583192
N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170140442
N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143251
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583414
N,N-bis(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-5-amine
CID 170044977
N-(3-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170143058

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline?
The IUPAC name of N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline (CID 170143121) is N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline.
What is the SMILES notation for N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline?
The canonical SMILES for N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)c3ccccc3-c3cccc4sc5ccccc5c34)cccc21.
What is the InChIKey of N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline?
The InChIKey is IVUCRYNMOPHVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45NS/c1-59(2)49-31-12-6-24-46(49)56-42(26-18-32-50(56)59)39-21-7-13-33-51(39)61(52-34-14-8-22-40(52)43-27-19-37-55-57(43)47-25-10-16-36-54(47)62-55)53-35-15-9-23-41(53)45-29-17-28-44-38-20-5-11-30-48(38)60(3,4)58(44)45/h5-37H,1-4H3.
What are the key properties of N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline?
N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline has a molecular weight of 812.09 g/mol, XLogP of 17.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline is sourced from PubChem (CID 170143121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).