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

C54H41NS — CID 170143113

IUPACN-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccc4sc5ccccc5c4c3)c3cccc4c3C(C)(C)c3ccccc3-4)cccc21
InChIInChI=1S/C54H41NS/c1-53(2)44-25-11-6-21-41(44)51-39(22-15-26-45(51)53)37-19-8-13-28-47(37)55(48-29-16-23-40-36-18-5-10-24-43(36)54(3,4)52(40)48)46-27-12-7-17-35(46)34-31-32-50-42(33-34)38-20-9-14-30-49(38)56-50/h5-33H,1-4H3
InChIKeyLNGMVUVBQIFXNH-UHFFFAOYSA-N
MW736.00 g/mol
LogP15.47
Rot. Bonds5

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

N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine (PubChem CID 170143113) has the molecular formula C54H41NS and a molecular weight of 736.00 g/mol. Its IUPAC name is N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine
PubChem CID170143113
Molecular FormulaC54H41NS
Molecular Weight736.00 g/mol
Exact Mass735.30
IUPAC NameN-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccc4sc5ccccc5c4c3)c3cccc4c3C(C)(C)c3ccccc3-4)cccc21
InChIInChI=1S/C54H41NS/c1-53(2)44-25-11-6-21-41(44)51-39(22-15-26-45(51)53)37-19-8-13-28-47(37)55(48-29-16-23-40-36-18-5-10-24-43(36)54(3,4)52(40)48)46-27-12-7-17-35(46)34-31-32-50-42(33-34)38-20-9-14-30-49(38)56-50/h5-33H,1-4H3
InChIKeyLNGMVUVBQIFXNH-UHFFFAOYSA-N
XLogP15.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.00
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170140442
N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 170665703
2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline
CID 170140456
N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170143121
2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143174
N-(3-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170143058
2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 167326456
N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568036
N-(2-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170218561
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 118146460
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline
CID 170135024

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine?
The IUPAC name of N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine (CID 170143113) is N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine.
What is the SMILES notation for N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine?
The canonical SMILES for N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccc4sc5ccccc5c4c3)c3cccc4c3C(C)(C)c3ccccc3-4)cccc21.
What is the InChIKey of N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine?
The InChIKey is LNGMVUVBQIFXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41NS/c1-53(2)44-25-11-6-21-41(44)51-39(22-15-26-45(51)53)37-19-8-13-28-47(37)55(48-29-16-23-40-36-18-5-10-24-43(36)54(3,4)52(40)48)46-27-12-7-17-35(46)34-31-32-50-42(33-34)38-20-9-14-30-49(38)56-50/h5-33H,1-4H3.
What are the key properties of N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine?
N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine has a molecular weight of 736.00 g/mol, XLogP of 15.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine is sourced from PubChem (CID 170143113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).