N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine

C59H45NS — CID 170302761

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c4cccc5sc6ccccc6c45)cccc32)cc1
InChIInChI=1S/C59H45NS/c1-4-20-40(21-5-1)44-31-16-22-41-23-17-32-46(56(41)44)45-28-11-14-35-51(45)60(53-37-19-39-55-58(53)48-30-12-15-38-54(48)61-55)52-36-18-34-50-57(52)47-29-10-13-33-49(47)59(50,42-24-6-2-7-25-42)43-26-8-3-9-27-43/h2-3,6-19,22-40H,1,4-5,20-21H2
InChIKeyXPGCGJIMWCIHPD-UHFFFAOYSA-N
MW800.08 g/mol
LogP16.76
Rot. Bonds7

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine (PubChem CID 170302761) has the molecular formula C59H45NS and a molecular weight of 800.08 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine
PubChem CID170302761
Molecular FormulaC59H45NS
Molecular Weight800.08 g/mol
Exact Mass799.33
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c4cccc5sc6ccccc6c45)cccc32)cc1
InChIInChI=1S/C59H45NS/c1-4-20-40(21-5-1)44-31-16-22-41-23-17-32-46(56(41)44)45-28-11-14-35-51(45)60(53-37-19-39-55-58(53)48-30-12-15-38-54(48)61-55)52-36-18-34-50-57(52)47-29-10-13-33-49(47)59(50,42-24-6-2-7-25-42)43-26-8-3-9-27-43/h2-3,6-19,22-40H,1,4-5,20-21H2
InChIKeyXPGCGJIMWCIHPD-UHFFFAOYSA-N
XLogP16.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.08
LogP ≤ 516.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 170303868
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine
CID 170300901
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 170296073
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 170304636
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 170303755
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 170292655
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
CID 170302928
N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170302327
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 172545021
N-[4-[9-(3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylfluoren-4-yl]phenyl]-2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170303745
N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine
CID 172544772
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 170300855

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine (CID 170302761) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c4cccc5sc6ccccc6c45)cccc32)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine?
The InChIKey is XPGCGJIMWCIHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45NS/c1-4-20-40(21-5-1)44-31-16-22-41-23-17-32-46(56(41)44)45-28-11-14-35-51(45)60(53-37-19-39-55-58(53)48-30-12-15-38-54(48)61-55)52-36-18-34-50-57(52)47-29-10-13-33-49(47)59(50,42-24-6-2-7-25-42)43-26-8-3-9-27-43/h2-3,6-19,22-40H,1,4-5,20-21H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine has a molecular weight of 800.08 g/mol, XLogP of 16.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine is sourced from PubChem (CID 170302761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).