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

C59H45NS — CID 170304636

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(C2(c3ccc(N(c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c4cccc5c4sc4ccccc45)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C59H45NS/c1-3-18-40(19-4-1)45-28-15-20-41-21-16-29-50(57(41)45)48-26-9-13-33-54(48)60(55-34-17-30-51-49-27-10-14-35-56(49)61-58(51)55)44-38-36-43(37-39-44)59(42-22-5-2-6-23-42)52-31-11-7-24-46(52)47-25-8-12-32-53(47)59/h2,5-17,20-40H,1,3-4,18-19H2
InChIKeyMOBQQGPIDVSLNE-UHFFFAOYSA-N
MW800.08 g/mol
LogP16.76
Rot. Bonds7

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 170304636) 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-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
PubChem CID170304636
Molecular FormulaC59H45NS
Molecular Weight800.08 g/mol
Exact Mass799.33
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(C2(c3ccc(N(c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c4cccc5c4sc4ccccc45)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C59H45NS/c1-3-18-40(19-4-1)45-28-15-20-41-21-16-29-50(57(41)45)48-26-9-13-33-54(48)60(55-34-17-30-51-49-27-10-14-35-56(49)61-58(51)55)44-38-36-43(37-39-44)59(42-22-5-2-6-23-42)52-31-11-7-24-46(52)47-25-8-12-32-53(47)59/h2,5-17,20-40H,1,3-4,18-19H2
InChIKeyMOBQQGPIDVSLNE-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

Analyze N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170295830
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine
CID 170302761
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine
CID 170300950
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-phenylaniline
CID 170296118
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]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
CID 170302928
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-(4-cyclopropa[a]inden-3-ylphenyl)dibenzothiophen-4-amine
CID 170300953
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 170304685
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-4-amine
CID 170300693
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 170303868
2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170302927

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine (CID 170304636) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine is c1ccc(C2(c3ccc(N(c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c4cccc5c4sc4ccccc45)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is MOBQQGPIDVSLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45NS/c1-3-18-40(19-4-1)45-28-15-20-41-21-16-29-50(57(41)45)48-26-9-13-33-54(48)60(55-34-17-30-51-49-27-10-14-35-56(49)61-58(51)55)44-38-36-43(37-39-44)59(42-22-5-2-6-23-42)52-31-11-7-24-46(52)47-25-8-12-32-53(47)59/h2,5-17,20-40H,1,3-4,18-19H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-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-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 170304636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).