N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine

C57H40N2S — CID 138484878

IUPACN-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3-c3ccccc3)c3cccc4sc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cccc21
InChIInChI=1S/C57H40N2S/c1-57(2)46-24-12-9-23-43(46)55-47(57)25-15-28-51(55)59(48-26-13-10-21-41(48)37-17-5-3-6-18-37)52-29-16-30-54-56(52)45-36-39(32-34-53(45)60-54)38-31-33-50-44(35-38)42-22-11-14-27-49(42)58(50)40-19-7-4-8-20-40/h3-36H,1-2H3
InChIKeyLNKNOORGYHMLLT-UHFFFAOYSA-N
MW785.03 g/mol
LogP16.26
Rot. Bonds6

About N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine

N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 138484878) has the molecular formula C57H40N2S and a molecular weight of 785.03 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine
PubChem CID138484878
Molecular FormulaC57H40N2S
Molecular Weight785.03 g/mol
Exact Mass784.29
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3-c3ccccc3)c3cccc4sc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cccc21
InChIInChI=1S/C57H40N2S/c1-57(2)46-24-12-9-23-43(46)55-47(57)25-15-28-51(55)59(48-26-13-10-21-41(48)37-17-5-3-6-18-37)52-29-16-30-54-56(52)45-36-39(32-34-53(45)60-54)38-31-33-50-44(35-38)42-22-11-14-27-49(42)58(50)40-19-7-4-8-20-40/h3-36H,1-2H3
InChIKeyLNKNOORGYHMLLT-UHFFFAOYSA-N
XLogP16.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.03
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzothiophen-1-amine
CID 138484969
N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 138484635
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 138577563
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-(4-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine
CID 160700162
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzothiophen-1-amine
CID 166003188
N-[4-[9,9-dimethyl-4-(9-phenylcarbazol-3-yl)fluoren-1-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118193688
4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 159135474
N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165103115
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168788548

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine (CID 138484878) is N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3-c3ccccc3)c3cccc4sc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is LNKNOORGYHMLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2S/c1-57(2)46-24-12-9-23-43(46)55-47(57)25-15-28-51(55)59(48-26-13-10-21-41(48)37-17-5-3-6-18-37)52-29-16-30-54-56(52)45-36-39(32-34-53(45)60-54)38-31-33-50-44(35-38)42-22-11-14-27-49(42)58(50)40-19-7-4-8-20-40/h3-36H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine?
N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine has a molecular weight of 785.03 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 138484878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).