N-[4-(8-fluoro-5,5-diphenyldibenzothiophen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C54H38FNS — CID 134462256

IUPACN-[4-(8-fluoro-5,5-diphenyldibenzothiophen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESFc1ccc2c(c1)-c1cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)ccc1S2(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H38FNS/c55-45-28-36-54-52(38-45)51-37-44(27-35-53(51)57(54,49-17-9-3-10-18-49)50-19-11-4-12-20-50)43-25-33-48(34-26-43)56(46-29-21-41(22-30-46)39-13-5-1-6-14-39)47-31-23-42(24-32-47)40-15-7-2-8-16-40/h1-38H
InChIKeyQAZXVHVMOFKAPO-UHFFFAOYSA-N
MW751.97 g/mol
LogP15.62
Rot. Bonds8

About N-[4-(8-fluoro-5,5-diphenyldibenzothiophen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(8-fluoro-5,5-diphenyldibenzothiophen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 134462256) has the molecular formula C54H38FNS and a molecular weight of 751.97 g/mol. Its IUPAC name is N-[4-(8-fluoro-5,5-diphenyldibenzothiophen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(8-fluoro-5,5-diphenyldibenzothiophen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID134462256
Molecular FormulaC54H38FNS
Molecular Weight751.97 g/mol
Exact Mass751.27
IUPAC NameN-[4-(8-fluoro-5,5-diphenyldibenzothiophen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESFc1ccc2c(c1)-c1cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)ccc1S2(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H38FNS/c55-45-28-36-54-52(38-45)51-37-44(27-35-53(51)57(54,49-17-9-3-10-18-49)50-19-11-4-12-20-50)43-25-33-48(34-26-43)56(46-29-21-41(22-30-46)39-13-5-1-6-14-39)47-31-23-42(24-32-47)40-15-7-2-8-16-40/h1-38H
InChIKeyQAZXVHVMOFKAPO-UHFFFAOYSA-N
XLogP15.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.97
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(8-fluoro-5,5-diphenyldibenzothiophen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(8-fluoro-5,5-diphenyldibenzothiophen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 134462256) is N-[4-(8-fluoro-5,5-diphenyldibenzothiophen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(8-fluoro-5,5-diphenyldibenzothiophen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(8-fluoro-5,5-diphenyldibenzothiophen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is Fc1ccc2c(c1)-c1cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)ccc1S2(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-(8-fluoro-5,5-diphenyldibenzothiophen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is QAZXVHVMOFKAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38FNS/c55-45-28-36-54-52(38-45)51-37-44(27-35-53(51)57(54,49-17-9-3-10-18-49)50-19-11-4-12-20-50)43-25-33-48(34-26-43)56(46-29-21-41(22-30-46)39-13-5-1-6-14-39)47-31-23-42(24-32-47)40-15-7-2-8-16-40/h1-38H.
What are the key properties of N-[4-(8-fluoro-5,5-diphenyldibenzothiophen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(8-fluoro-5,5-diphenyldibenzothiophen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 751.97 g/mol, XLogP of 15.62, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-fluoro-5,5-diphenyldibenzothiophen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 134462256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).