2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine

C61H41NS — CID 140919484

IUPAC2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C61H41NS/c1-5-19-42(20-6-1)43-33-36-49(37-34-43)62(57-31-17-14-27-50(57)44-21-7-2-8-22-44)58-41-46(39-54-53-29-15-18-32-59(53)63-60(54)58)45-35-38-52-51-28-13-16-30-55(51)61(56(52)40-45,47-23-9-3-10-24-47)48-25-11-4-12-26-48/h1-41H
InChIKeyPIYDJJGJJDGQDO-UHFFFAOYSA-N
MW820.07 g/mol
LogP16.89
Rot. Bonds8

About 2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine

2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 140919484) has the molecular formula C61H41NS and a molecular weight of 820.07 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound Name2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
PubChem CID140919484
Molecular FormulaC61H41NS
Molecular Weight820.07 g/mol
Exact Mass819.30
IUPAC Name2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C61H41NS/c1-5-19-42(20-6-1)43-33-36-49(37-34-43)62(57-31-17-14-27-50(57)44-21-7-2-8-22-44)58-41-46(39-54-53-29-15-18-32-59(53)63-60(54)58)45-35-38-52-51-28-13-16-30-55(51)61(56(52)40-45,47-23-9-3-10-24-47)48-25-11-4-12-26-48/h1-41H
InChIKeyPIYDJJGJJDGQDO-UHFFFAOYSA-N
XLogP16.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.07
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine with MolForge

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Related Compounds

2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 140919295
N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-4-amine
CID 122675244
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine
CID 121423516
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,5-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675334
N,4-diphenyl-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 159227024
N-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 140919200
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566059
2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326289
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675309
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 118298078
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 142481346
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170302520

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of 2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine (CID 140919484) is 2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for 2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for 2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine is c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of 2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is PIYDJJGJJDGQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NS/c1-5-19-42(20-6-1)43-33-36-49(37-34-43)62(57-31-17-14-27-50(57)44-21-7-2-8-22-44)58-41-46(39-54-53-29-15-18-32-59(53)63-60(54)58)45-35-38-52-51-28-13-16-30-55(51)61(56(52)40-45,47-23-9-3-10-24-47)48-25-11-4-12-26-48/h1-41H.
What are the key properties of 2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 820.07 g/mol, XLogP of 16.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 140919484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).