2-dibenzothiophen-3-yl-N-[3-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline

C63H45NS — CID 168839721

IUPAC2-dibenzothiophen-3-yl-N-[3-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
SMILESCC1(C)c2ccc(-c3cccc(N(c4cccc(-c5ccccc5)c4)c4ccccc4-c4ccc5c(c4)sc4ccccc45)c3)cc2-c2c(-c3ccccc3)cc(-c3ccccc3)cc21
InChIInChI=1S/C63H45NS/c1-63(2)57-35-33-47(38-56(57)62-55(44-22-10-5-11-23-44)39-49(40-58(62)63)43-20-8-4-9-21-43)46-25-17-27-51(37-46)64(50-26-16-24-45(36-50)42-18-6-3-7-19-42)59-30-14-12-28-52(59)48-32-34-54-53-29-13-15-31-60(53)65-61(54)41-48/h3-41H,1-2H3
InChIKeyFBQKUQJVSWXVFJ-UHFFFAOYSA-N
MW848.13 g/mol
LogP18.17
Rot. Bonds8

About 2-dibenzothiophen-3-yl-N-[3-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline

2-dibenzothiophen-3-yl-N-[3-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline (PubChem CID 168839721) has the molecular formula C63H45NS and a molecular weight of 848.13 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-N-[3-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-N-[3-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
PubChem CID168839721
Molecular FormulaC63H45NS
Molecular Weight848.13 g/mol
Exact Mass847.33
IUPAC Name2-dibenzothiophen-3-yl-N-[3-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
SMILESCC1(C)c2ccc(-c3cccc(N(c4cccc(-c5ccccc5)c4)c4ccccc4-c4ccc5c(c4)sc4ccccc45)c3)cc2-c2c(-c3ccccc3)cc(-c3ccccc3)cc21
InChIInChI=1S/C63H45NS/c1-63(2)57-35-33-47(38-56(57)62-55(44-22-10-5-11-23-44)39-49(40-58(62)63)43-20-8-4-9-21-43)46-25-17-27-51(37-46)64(50-26-16-24-45(36-50)42-18-6-3-7-19-42)59-30-14-12-28-52(59)48-32-34-54-53-29-13-15-31-60(53)65-61(54)41-48/h3-41H,1-2H3
InChIKeyFBQKUQJVSWXVFJ-UHFFFAOYSA-N
XLogP18.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.13
LogP ≤ 518.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 168839739
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
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 168839480
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-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321713
N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethyl-1,2-dihydrofluoren-3-yl)-N-(3-phenylphenyl)aniline
CID 156826927
2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325670
N-[4-[7-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 164724672
N-(2-dibenzothiophen-3-yl-3-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 170666062
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326325

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-N-[3-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline?
The IUPAC name of 2-dibenzothiophen-3-yl-N-[3-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline (CID 168839721) is 2-dibenzothiophen-3-yl-N-[3-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline.
What is the SMILES notation for 2-dibenzothiophen-3-yl-N-[3-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline?
The canonical SMILES for 2-dibenzothiophen-3-yl-N-[3-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline is CC1(C)c2ccc(-c3cccc(N(c4cccc(-c5ccccc5)c4)c4ccccc4-c4ccc5c(c4)sc4ccccc45)c3)cc2-c2c(-c3ccccc3)cc(-c3ccccc3)cc21.
What is the InChIKey of 2-dibenzothiophen-3-yl-N-[3-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline?
The InChIKey is FBQKUQJVSWXVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45NS/c1-63(2)57-35-33-47(38-56(57)62-55(44-22-10-5-11-23-44)39-49(40-58(62)63)43-20-8-4-9-21-43)46-25-17-27-51(37-46)64(50-26-16-24-45(36-50)42-18-6-3-7-19-42)59-30-14-12-28-52(59)48-32-34-54-53-29-13-15-31-60(53)65-61(54)41-48/h3-41H,1-2H3.
What are the key properties of 2-dibenzothiophen-3-yl-N-[3-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline?
2-dibenzothiophen-3-yl-N-[3-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline has a molecular weight of 848.13 g/mol, XLogP of 18.17, 8 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-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 168839721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).