N-phenyl-2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]phenyl]-N-(4-phenylphenyl)aniline

C61H41NS — CID 163581266

IUPACN-phenyl-2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3ccccc3-c3cccc4c3sc3ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc34)cc2)cc1
InChIInChI=1S/C61H41NS/c1-4-19-42(20-5-1)43-35-38-47(39-36-43)62(46-23-8-3-9-24-46)58-34-17-14-29-52(58)48-25-10-11-26-49(48)53-30-18-31-54-55-41-45(37-40-59(55)63-60(53)54)61(44-21-6-2-7-22-44)56-32-15-12-27-50(56)51-28-13-16-33-57(51)61/h1-41H
InChIKeyDYZGCHVKWMRIBJ-UHFFFAOYSA-N
MW820.07 g/mol
LogP16.89
Rot. Bonds8

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

N-phenyl-2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 163581266) has the molecular formula C61H41NS and a molecular weight of 820.07 g/mol. Its IUPAC name is N-phenyl-2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-phenyl-2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID163581266
Molecular FormulaC61H41NS
Molecular Weight820.07 g/mol
Exact Mass819.30
IUPAC NameN-phenyl-2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3ccccc3-c3cccc4c3sc3ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc34)cc2)cc1
InChIInChI=1S/C61H41NS/c1-4-19-42(20-5-1)43-35-38-47(39-36-43)62(46-23-8-3-9-24-46)58-34-17-14-29-52(58)48-25-10-11-26-49(48)53-30-18-31-54-55-41-45(37-40-59(55)63-60(53)54)61(44-21-6-2-7-22-44)56-32-15-12-27-50(56)51-28-13-16-33-57(51)61/h1-41H
InChIKeyDYZGCHVKWMRIBJ-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

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Related Compounds

N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 163549331
N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 163480005
N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 163497598
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)aniline
CID 121391749
8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 163980178
N-phenyl-3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline;N-phenyl-3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]-N-(4-phenylphenyl)aniline
CID 163737565
2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326289
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424569
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121381523
N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424642
N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176605585
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424236

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of N-phenyl-2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]phenyl]-N-(4-phenylphenyl)aniline (CID 163581266) is N-phenyl-2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-phenyl-2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-phenyl-2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3ccccc3-c3cccc4c3sc3ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc34)cc2)cc1.
What is the InChIKey of N-phenyl-2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is DYZGCHVKWMRIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NS/c1-4-19-42(20-5-1)43-35-38-47(39-36-43)62(46-23-8-3-9-24-46)58-34-17-14-29-52(58)48-25-10-11-26-49(48)53-30-18-31-54-55-41-45(37-40-59(55)63-60(53)54)61(44-21-6-2-7-22-44)56-32-15-12-27-50(56)51-28-13-16-33-57(51)61/h1-41H.
What are the key properties of N-phenyl-2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]phenyl]-N-(4-phenylphenyl)aniline?
N-phenyl-2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]phenyl]-N-(4-phenylphenyl)aniline 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 N-phenyl-2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 163581266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).