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

C57H40N2S — CID 138484635

IUPACN-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4sc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cccc21
InChIInChI=1S/C57H40N2S/c1-57(2)47-21-11-9-20-44(47)55-48(57)22-13-24-51(55)59(42-31-27-38(28-32-42)37-15-5-3-6-16-37)52-25-14-26-54-56(52)46-36-40(30-34-53(46)60-54)39-29-33-50-45(35-39)43-19-10-12-23-49(43)58(50)41-17-7-4-8-18-41/h3-36H,1-2H3
InChIKeyXDVJFXMPNYLFDL-UHFFFAOYSA-N
MW785.03 g/mol
LogP16.26
Rot. Bonds6

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

N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 138484635) 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-(4-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
PubChem CID138484635
Molecular FormulaC57H40N2S
Molecular Weight785.03 g/mol
Exact Mass784.29
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4sc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cccc21
InChIInChI=1S/C57H40N2S/c1-57(2)47-21-11-9-20-44(47)55-48(57)22-13-24-51(55)59(42-31-27-38(28-32-42)37-15-5-3-6-16-37)52-25-14-26-54-56(52)46-36-40(30-34-53(46)60-54)39-29-33-50-45(35-39)43-19-10-12-23-49(43)58(50)41-17-7-4-8-18-41/h3-36H,1-2H3
InChIKeyXDVJFXMPNYLFDL-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-(2-phenylphenyl)dibenzothiophen-1-amine
CID 138484878
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 138577563
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
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,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
9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170543858
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
9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 166956437
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine
CID 126702904
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzothiophen-1-amine
CID 166003188

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine (CID 138484635) is N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4sc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is XDVJFXMPNYLFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2S/c1-57(2)47-21-11-9-20-44(47)55-48(57)22-13-24-51(55)59(42-31-27-38(28-32-42)37-15-5-3-6-16-37)52-25-14-26-54-56(52)46-36-40(30-34-53(46)60-54)39-29-33-50-45(35-39)43-19-10-12-23-49(43)58(50)41-17-7-4-8-18-41/h3-36H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-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-(4-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 138484635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).