2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C66H45NS — CID 170302469

IUPAC2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)c4ccccc4-c4cccc5sc6ccccc6c45)cc3)cccc21
InChIInChI=1S/C66H45NS/c1-66(47-24-6-3-7-25-47)57-34-12-8-28-55(57)64-50(31-18-35-58(64)66)45-40-42-48(43-41-45)67(60-37-14-10-27-52(60)54-33-19-39-62-65(54)56-29-11-15-38-61(56)68-62)59-36-13-9-26-51(59)53-32-17-23-46-22-16-30-49(63(46)53)44-20-4-2-5-21-44/h2-43H,1H3
InChIKeyRVQLKNSFKJQWGK-UHFFFAOYSA-N
MW884.16 g/mol
LogP18.68
Rot. Bonds8

About 2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170302469) has the molecular formula C66H45NS and a molecular weight of 884.16 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170302469
Molecular FormulaC66H45NS
Molecular Weight884.16 g/mol
Exact Mass883.33
IUPAC Name2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)c4ccccc4-c4cccc5sc6ccccc6c45)cc3)cccc21
InChIInChI=1S/C66H45NS/c1-66(47-24-6-3-7-25-47)57-34-12-8-28-55(57)64-50(31-18-35-58(64)66)45-40-42-48(43-41-45)67(60-37-14-10-27-52(60)54-33-19-39-62-65(54)56-29-11-15-38-61(56)68-62)59-36-13-9-26-51(59)53-32-17-23-46-22-16-30-49(63(46)53)44-20-4-2-5-21-44/h2-43H,1H3
InChIKeyRVQLKNSFKJQWGK-UHFFFAOYSA-N
XLogP18.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.16
LogP ≤ 518.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170302327
2-dibenzothiophen-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302138
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170302579
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170291648
9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170303937
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 169020125
2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326123
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170304295
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303519
9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170303515
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170137215
2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167325878

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170302469) is 2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is CC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)c4ccccc4-c4cccc5sc6ccccc6c45)cc3)cccc21.
What is the InChIKey of 2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is RVQLKNSFKJQWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45NS/c1-66(47-24-6-3-7-25-47)57-34-12-8-28-55(57)64-50(31-18-35-58(64)66)45-40-42-48(43-41-45)67(60-37-14-10-27-52(60)54-33-19-39-62-65(54)56-29-11-15-38-61(56)68-62)59-36-13-9-26-51(59)53-32-17-23-46-22-16-30-49(63(46)53)44-20-4-2-5-21-44/h2-43H,1H3.
What are the key properties of 2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 884.16 g/mol, XLogP of 18.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170302469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).