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

C57H41NS — CID 168839739

IUPAC2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(N(c5cccc(-c6ccccc6)c5)c5ccccc5-c5ccc6c(c5)sc5ccccc56)c4)c3)ccc21
InChIInChI=1S/C57H41NS/c1-57(2)52-26-9-6-24-48(52)51-36-43(30-32-53(51)57)40-18-12-17-39(33-40)42-20-14-22-46(35-42)58(45-21-13-19-41(34-45)38-15-4-3-5-16-38)54-27-10-7-23-47(54)44-29-31-50-49-25-8-11-28-55(49)59-56(50)37-44/h3-37H,1-2H3
InChIKeyUZNZLJAOMKKYEX-UHFFFAOYSA-N
MW772.03 g/mol
LogP16.50
Rot. Bonds7

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

2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline (PubChem CID 168839739) has the molecular formula C57H41NS and a molecular weight of 772.03 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline
PubChem CID168839739
Molecular FormulaC57H41NS
Molecular Weight772.03 g/mol
Exact Mass771.30
IUPAC Name2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(N(c5cccc(-c6ccccc6)c5)c5ccccc5-c5ccc6c(c5)sc5ccccc56)c4)c3)ccc21
InChIInChI=1S/C57H41NS/c1-57(2)52-26-9-6-24-48(52)51-36-43(30-32-53(51)57)40-18-12-17-39(33-40)42-20-14-22-46(35-42)58(45-21-13-19-41(34-45)38-15-4-3-5-16-38)54-27-10-7-23-47(54)44-29-31-50-49-25-8-11-28-55(49)59-56(50)37-44/h3-37H,1-2H3
InChIKeyUZNZLJAOMKKYEX-UHFFFAOYSA-N
XLogP16.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.03
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 168839480
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-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839721
N-[2-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 169039618
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine
CID 168840172
N-(2-dibenzothiophen-3-yl-3-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 170666062
N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethyl-1,2-dihydrofluoren-3-yl)-N-(3-phenylphenyl)aniline
CID 156826927
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839548
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
CID 168839696
2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline
CID 170140456
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 129085176
N-[4-[7-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 164724672

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline?
The IUPAC name of 2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline (CID 168839739) is 2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline.
What is the SMILES notation for 2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline?
The canonical SMILES for 2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline is CC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(N(c5cccc(-c6ccccc6)c5)c5ccccc5-c5ccc6c(c5)sc5ccccc56)c4)c3)ccc21.
What is the InChIKey of 2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline?
The InChIKey is UZNZLJAOMKKYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NS/c1-57(2)52-26-9-6-24-48(52)51-36-43(30-32-53(51)57)40-18-12-17-39(33-40)42-20-14-22-46(35-42)58(45-21-13-19-41(34-45)38-15-4-3-5-16-38)54-27-10-7-23-47(54)44-29-31-50-49-25-8-11-28-55(49)59-56(50)37-44/h3-37H,1-2H3.
What are the key properties of 2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline?
2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline has a molecular weight of 772.03 g/mol, XLogP of 16.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 168839739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).