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

C51H37NS — CID 170140442

IUPACN-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccccc3)c3ccccc3-c3ccc4c(c3)sc3ccccc34)cccc21
InChIInChI=1S/C51H37NS/c1-51(2)43-25-11-6-23-42(43)50-41(24-16-26-44(50)51)38-21-9-14-29-47(38)52(45-27-12-7-19-36(45)34-17-4-3-5-18-34)46-28-13-8-20-37(46)35-31-32-40-39-22-10-15-30-48(39)53-49(40)33-35/h3-33H,1-2H3
InChIKeyVAXZRILVGDOVBY-UHFFFAOYSA-N
MW695.93 g/mol
LogP14.83
Rot. Bonds6

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

N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline (PubChem CID 170140442) has the molecular formula C51H37NS and a molecular weight of 695.93 g/mol. Its IUPAC name is N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline.

Molecular Properties

Compound NameN-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
PubChem CID170140442
Molecular FormulaC51H37NS
Molecular Weight695.93 g/mol
Exact Mass695.26
IUPAC NameN-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccccc3)c3ccccc3-c3ccc4c(c3)sc3ccccc34)cccc21
InChIInChI=1S/C51H37NS/c1-51(2)43-25-11-6-23-42(43)50-41(24-16-26-44(50)51)38-21-9-14-29-47(38)52(45-27-12-7-19-36(45)34-17-4-3-5-18-34)46-28-13-8-20-37(46)35-31-32-40-39-22-10-15-30-48(39)53-49(40)33-35/h3-33H,1-2H3
InChIKeyVAXZRILVGDOVBY-UHFFFAOYSA-N
XLogP14.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.93
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline
CID 170140456
N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143251
N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine
CID 170143113
N-[2-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 169039618
N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568036
2-dibenzothiophen-3-yl-N-[3-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839721
2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 168839739
N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170143121
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 170141581
N-(3-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170143058
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

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline?
The IUPAC name of N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline (CID 170140442) is N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline.
What is the SMILES notation for N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline?
The canonical SMILES for N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccccc3)c3ccccc3-c3ccc4c(c3)sc3ccccc34)cccc21.
What is the InChIKey of N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline?
The InChIKey is VAXZRILVGDOVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NS/c1-51(2)43-25-11-6-23-42(43)50-41(24-16-26-44(50)51)38-21-9-14-29-47(38)52(45-27-12-7-19-36(45)34-17-4-3-5-18-34)46-28-13-8-20-37(46)35-31-32-40-39-22-10-15-30-48(39)53-49(40)33-35/h3-33H,1-2H3.
What are the key properties of N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline?
N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline has a molecular weight of 695.93 g/mol, XLogP of 14.83, 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)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline is sourced from PubChem (CID 170140442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).