N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine

C55H35NOS — CID 166012362

IUPACN-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccccc4-c4ccc5sc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C55H35NOS/c1-3-15-37(16-4-1)55(38-17-5-2-6-18-38)48-23-11-7-20-42(48)43-30-28-40(35-49(43)55)56(39-29-31-52-46(34-39)44-21-9-13-25-51(44)57-52)50-24-12-8-19-41(50)36-27-32-54-47(33-36)45-22-10-14-26-53(45)58-54/h1-35H
InChIKeyLLHNGSVTUGTSNZ-UHFFFAOYSA-N
MW757.96 g/mol
LogP15.45
Rot. Bonds6

About N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine

N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine (PubChem CID 166012362) has the molecular formula C55H35NOS and a molecular weight of 757.96 g/mol. Its IUPAC name is N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
PubChem CID166012362
Molecular FormulaC55H35NOS
Molecular Weight757.96 g/mol
Exact Mass757.24
IUPAC NameN-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccccc4-c4ccc5sc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C55H35NOS/c1-3-15-37(16-4-1)55(38-17-5-2-6-18-38)48-23-11-7-20-42(48)43-30-28-40(35-49(43)55)56(39-29-31-52-46(34-39)44-21-9-13-25-51(44)57-52)50-24-12-8-19-41(50)36-27-32-54-47(33-36)45-22-10-14-26-53(45)58-54/h1-35H
InChIKeyLLHNGSVTUGTSNZ-UHFFFAOYSA-N
XLogP15.45
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.96
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-dibenzofuran-2-ylphenyl)-9,9-diphenylfluoren-2-amine;N,N-bis(2-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 160626723
N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 122675384
N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159548995
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 157349441
N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 158243497
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(2-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159801227
N-(2-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(2-dibenzofuran-4-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 160775781
N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118298589
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324649
N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 122675393
9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine
CID 170140717
N-(9,9-diphenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119009

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine?
The IUPAC name of N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine (CID 166012362) is N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine?
The canonical SMILES for N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccccc4-c4ccc5sc6ccccc6c5c4)cc32)cc1.
What is the InChIKey of N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine?
The InChIKey is LLHNGSVTUGTSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NOS/c1-3-15-37(16-4-1)55(38-17-5-2-6-18-38)48-23-11-7-20-42(48)43-30-28-40(35-49(43)55)56(39-29-31-52-46(34-39)44-21-9-13-25-51(44)57-52)50-24-12-8-19-41(50)36-27-32-54-47(33-36)45-22-10-14-26-53(45)58-54/h1-35H.
What are the key properties of N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine?
N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine has a molecular weight of 757.96 g/mol, XLogP of 15.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine is sourced from PubChem (CID 166012362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).