N-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine

C59H43NS — CID 170218536

IUPACN-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc3)c21
InChIInChI=1S/C59H43NS/c1-58(2)52-24-10-7-20-47(52)51-23-14-22-45(57(51)58)38-27-30-42(31-28-38)60(43-18-13-15-39(35-43)40-29-33-50-49-21-9-12-26-55(49)61-56(50)36-40)44-32-34-48-46-19-8-11-25-53(46)59(3,54(48)37-44)41-16-5-4-6-17-41/h4-37H,1-3H3
InChIKeyJMVPPHCXGVUJOR-UHFFFAOYSA-N
MW798.07 g/mol
LogP16.50
Rot. Bonds6

About N-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine

N-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine (PubChem CID 170218536) has the molecular formula C59H43NS and a molecular weight of 798.07 g/mol. Its IUPAC name is N-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
PubChem CID170218536
Molecular FormulaC59H43NS
Molecular Weight798.07 g/mol
Exact Mass797.31
IUPAC NameN-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc3)c21
InChIInChI=1S/C59H43NS/c1-58(2)52-24-10-7-20-47(52)51-23-14-22-45(57(51)58)38-27-30-42(31-28-38)60(43-18-13-15-39(35-43)40-29-33-50-49-21-9-12-26-55(49)61-56(50)36-40)44-32-34-48-46-19-8-11-25-53(46)59(3,54(48)37-44)41-16-5-4-6-17-41/h4-37H,1-3H3
InChIKeyJMVPPHCXGVUJOR-UHFFFAOYSA-N
XLogP16.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.07
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170218562
N-(2-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170218561
N-(3-dibenzothiophen-2-ylphenyl)-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine
CID 168766941
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218403
N-(3-dibenzothiophen-3-ylphenyl)-9-methyl-N-(2-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine
CID 168766955
N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine
CID 171453606
3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 170216191
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-9-phenyl-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218419
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 168839480
N-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine
CID 171453391
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine
CID 168766674
N-(4-dibenzothiophen-3-ylphenyl)-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-N-phenylaniline
CID 167177532

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
The IUPAC name of N-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine (CID 170218536) is N-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine.
What is the SMILES notation for N-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
The canonical SMILES for N-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc3)c21.
What is the InChIKey of N-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
The InChIKey is JMVPPHCXGVUJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43NS/c1-58(2)52-24-10-7-20-47(52)51-23-14-22-45(57(51)58)38-27-30-42(31-28-38)60(43-18-13-15-39(35-43)40-29-33-50-49-21-9-12-26-55(49)61-56(50)36-40)44-32-34-48-46-19-8-11-25-53(46)59(3,54(48)37-44)41-16-5-4-6-17-41/h4-37H,1-3H3.
What are the key properties of N-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
N-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine has a molecular weight of 798.07 g/mol, XLogP of 16.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine is sourced from PubChem (CID 170218536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).