N-(4-dibenzothiophen-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine

C58H41NS — CID 171453670

IUPACN-(4-dibenzothiophen-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c(c3)-c3ccccc3C4(C)c3ccccc3)ccc21
InChIInChI=1S/C58H41NS/c1-57(39-16-5-3-6-17-39)51-25-12-9-20-45(51)49-36-42(32-34-53(49)57)59(41-30-28-38(29-31-41)44-23-15-24-48-47-22-11-14-27-55(47)60-56(44)48)43-33-35-54-50(37-43)46-21-10-13-26-52(46)58(54,2)40-18-7-4-8-19-40/h3-37H,1-2H3
InChIKeyVPQZBWUEXSHGNJ-UHFFFAOYSA-N
MW784.04 g/mol
LogP15.86
Rot. Bonds6

About N-(4-dibenzothiophen-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine

N-(4-dibenzothiophen-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine (PubChem CID 171453670) has the molecular formula C58H41NS and a molecular weight of 784.04 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine
PubChem CID171453670
Molecular FormulaC58H41NS
Molecular Weight784.04 g/mol
Exact Mass783.30
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c(c3)-c3ccccc3C4(C)c3ccccc3)ccc21
InChIInChI=1S/C58H41NS/c1-57(39-16-5-3-6-17-39)51-25-12-9-20-45(51)49-36-42(32-34-53(49)57)59(41-30-28-38(29-31-41)44-23-15-24-48-47-22-11-14-27-55(47)60-56(44)48)43-33-35-54-50(37-43)46-21-10-13-26-52(46)58(54,2)40-18-7-4-8-19-40/h3-37H,1-2H3
InChIKeyVPQZBWUEXSHGNJ-UHFFFAOYSA-N
XLogP15.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.04
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine
CID 168766674
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(2-phenylphenyl)aniline
CID 121381502
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381453
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628
N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine
CID 70808691
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
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425102
N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 134487986
N-[4-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146647899
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121424800
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine (CID 171453670) is N-(4-dibenzothiophen-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine is CC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c(c3)-c3ccccc3C4(C)c3ccccc3)ccc21.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine?
The InChIKey is VPQZBWUEXSHGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NS/c1-57(39-16-5-3-6-17-39)51-25-12-9-20-45(51)49-36-42(32-34-53(49)57)59(41-30-28-38(29-31-41)44-23-15-24-48-47-22-11-14-27-55(47)60-56(44)48)43-33-35-54-50(37-43)46-21-10-13-26-52(46)58(54,2)40-18-7-4-8-19-40/h3-37H,1-2H3.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine?
N-(4-dibenzothiophen-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine has a molecular weight of 784.04 g/mol, XLogP of 15.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine is sourced from PubChem (CID 171453670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).