N-(4-cyclohexylphenyl)-4-phenyl-N-[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-1-amine

C61H47NS — CID 176624734

IUPACN-(4-cyclohexylphenyl)-4-phenyl-N-[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3cccc(-c4ccccc4C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C61H47NS/c1-4-19-42(20-5-1)43-35-37-47(38-36-43)62(57-40-39-50(44-21-6-2-7-22-44)60-59(57)53-30-13-17-34-58(53)63-60)48-26-18-23-45(41-48)49-27-10-14-31-54(49)61(46-24-8-3-9-25-46)55-32-15-11-28-51(55)52-29-12-16-33-56(52)61/h2-3,6-18,21-42H,1,4-5,19-20H2
InChIKeyOTSFQNCNYCPIQS-UHFFFAOYSA-N
MW826.12 g/mol
LogP17.27
Rot. Bonds8

About N-(4-cyclohexylphenyl)-4-phenyl-N-[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-1-amine

N-(4-cyclohexylphenyl)-4-phenyl-N-[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-1-amine (PubChem CID 176624734) has the molecular formula C61H47NS and a molecular weight of 826.12 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-4-phenyl-N-[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-4-phenyl-N-[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-1-amine
PubChem CID176624734
Molecular FormulaC61H47NS
Molecular Weight826.12 g/mol
Exact Mass825.34
IUPAC NameN-(4-cyclohexylphenyl)-4-phenyl-N-[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3cccc(-c4ccccc4C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C61H47NS/c1-4-19-42(20-5-1)43-35-37-47(38-36-43)62(57-40-39-50(44-21-6-2-7-22-44)60-59(57)53-30-13-17-34-58(53)63-60)48-26-18-23-45(41-48)49-27-10-14-31-54(49)61(46-24-8-3-9-25-46)55-32-15-11-28-51(55)52-29-12-16-33-56(52)61/h2-3,6-18,21-42H,1,4-5,19-20H2
InChIKeyOTSFQNCNYCPIQS-UHFFFAOYSA-N
XLogP17.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.12
LogP ≤ 517.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyclohexylphenyl)-4-phenyl-N-[[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]methyl]dibenzothiophen-1-amine
CID 176624750
N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine
CID 176624728
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847919
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine
CID 168847778
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847943
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 168847706
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847833
N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 118298289
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424236
N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 176611605
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(2-phenylphenyl)aniline
CID 121381502
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121381523

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-4-phenyl-N-[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-4-phenyl-N-[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-1-amine (CID 176624734) is N-(4-cyclohexylphenyl)-4-phenyl-N-[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-4-phenyl-N-[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-4-phenyl-N-[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-1-amine is c1ccc(-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3cccc(-c4ccccc4C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3c2sc2ccccc23)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-4-phenyl-N-[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-1-amine?
The InChIKey is OTSFQNCNYCPIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47NS/c1-4-19-42(20-5-1)43-35-37-47(38-36-43)62(57-40-39-50(44-21-6-2-7-22-44)60-59(57)53-30-13-17-34-58(53)63-60)48-26-18-23-45(41-48)49-27-10-14-31-54(49)61(46-24-8-3-9-25-46)55-32-15-11-28-51(55)52-29-12-16-33-56(52)61/h2-3,6-18,21-42H,1,4-5,19-20H2.
What are the key properties of N-(4-cyclohexylphenyl)-4-phenyl-N-[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-1-amine?
N-(4-cyclohexylphenyl)-4-phenyl-N-[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-1-amine has a molecular weight of 826.12 g/mol, XLogP of 17.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-4-phenyl-N-[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 176624734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).