N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline

C60H45NS — CID 170143251

IUPACN-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3-c3ccc4c(c3)sc3ccccc34)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C60H45NS/c1-59(2)50-26-12-6-23-48(50)58-47(24-17-27-51(58)59)44-21-9-15-30-55(44)61(54-29-14-8-19-41(54)39-33-35-46-45-22-10-16-31-56(45)62-57(46)37-39)53-28-13-7-18-40(53)38-32-34-43-42-20-5-11-25-49(42)60(3,4)52(43)36-38/h5-37H,1-4H3
InChIKeyQDHUHUUPVJYYAH-UHFFFAOYSA-N
MW812.09 g/mol
LogP17.14
Rot. Bonds6

About N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline

N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline (PubChem CID 170143251) has the molecular formula C60H45NS and a molecular weight of 812.09 g/mol. Its IUPAC name is N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
PubChem CID170143251
Molecular FormulaC60H45NS
Molecular Weight812.09 g/mol
Exact Mass811.33
IUPAC NameN-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3-c3ccc4c(c3)sc3ccccc34)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C60H45NS/c1-59(2)50-26-12-6-23-48(50)58-47(24-17-27-51(58)59)44-21-9-15-30-55(44)61(54-29-14-8-19-41(54)39-33-35-46-45-22-10-16-31-56(45)62-57(46)37-39)53-28-13-7-18-40(53)38-32-34-43-42-20-5-11-25-49(42)60(3,4)52(43)36-38/h5-37H,1-4H3
InChIKeyQDHUHUUPVJYYAH-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-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170140442
2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline
CID 170140456
N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568036
N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine
CID 170143113
3-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 134387503
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine
CID 168840172
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 162216523
N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170143121
N-[2-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 169039618
N,N-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenylaniline;N-[3-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline;N-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 159815958
2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 168839739
9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine
CID 170140717

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
The IUPAC name of N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline (CID 170143251) is N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline.
What is the SMILES notation for N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
The canonical SMILES for N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline is CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3-c3ccc4c(c3)sc3ccccc34)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
The InChIKey is QDHUHUUPVJYYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45NS/c1-59(2)50-26-12-6-23-48(50)58-47(24-17-27-51(58)59)44-21-9-15-30-55(44)61(54-29-14-8-19-41(54)39-33-35-46-45-22-10-16-31-56(45)62-57(46)37-39)53-28-13-7-18-40(53)38-32-34-43-42-20-5-11-25-49(42)60(3,4)52(43)36-38/h5-37H,1-4H3.
What are the key properties of N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-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-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline is sourced from PubChem (CID 170143251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).