N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenyl-1,2-dihydroquinolin-2-yl)fluoren-4-amine

C63H48N2S — CID 170652957

IUPACN-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenyl-1,2-dihydroquinolin-2-yl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc4c3-c3ccc(C5Nc6ccccc6C=C5c5ccccc5)cc3C4(C)C)cc21
InChIInChI=1S/C63H48N2S/c1-62(2)52-23-11-9-19-46(52)47-35-33-44(38-55(47)62)65(43-31-28-40(29-32-43)45-21-14-22-49-48-20-10-13-27-58(48)66-61(45)49)57-26-15-24-53-59(57)50-34-30-42(37-54(50)63(53,3)4)60-51(39-16-6-5-7-17-39)36-41-18-8-12-25-56(41)64-60/h5-38,60,64H,1-4H3
InChIKeyKNMDCNDFOMPESO-UHFFFAOYSA-N
MW865.16 g/mol
LogP17.51
Rot. Bonds6

About N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenyl-1,2-dihydroquinolin-2-yl)fluoren-4-amine

N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenyl-1,2-dihydroquinolin-2-yl)fluoren-4-amine (PubChem CID 170652957) has the molecular formula C63H48N2S and a molecular weight of 865.16 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenyl-1,2-dihydroquinolin-2-yl)fluoren-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenyl-1,2-dihydroquinolin-2-yl)fluoren-4-amine
PubChem CID170652957
Molecular FormulaC63H48N2S
Molecular Weight865.16 g/mol
Exact Mass864.35
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenyl-1,2-dihydroquinolin-2-yl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc4c3-c3ccc(C5Nc6ccccc6C=C5c5ccccc5)cc3C4(C)C)cc21
InChIInChI=1S/C63H48N2S/c1-62(2)52-23-11-9-19-46(52)47-35-33-44(38-55(47)62)65(43-31-28-40(29-32-43)45-21-14-22-49-48-20-10-13-27-58(48)66-61(45)49)57-26-15-24-53-59(57)50-34-30-42(37-54(50)63(53,3)4)60-51(39-16-6-5-7-17-39)36-41-18-8-12-25-56(41)64-60/h5-38,60,64H,1-4H3
InChIKeyKNMDCNDFOMPESO-UHFFFAOYSA-N
XLogP17.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.16
LogP ≤ 517.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[3-[2-(2-phenylphenyl)-1,2-dihydroquinolin-3-yl]phenyl]fluoren-2-amine
CID 170652816
N,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine
CID 155095555
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylphenyl)fluoren-2-amine
CID 121391711
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-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170023651
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
N-[4-(4-phenylphenyl)phenyl]-N-(6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-yl)dibenzothiophen-4-amine
CID 138455824
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-6-phenylbenzo[a]fluoren-8-amine
CID 170372796
N-(2-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176987143
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-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 154960895

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenyl-1,2-dihydroquinolin-2-yl)fluoren-4-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenyl-1,2-dihydroquinolin-2-yl)fluoren-4-amine (CID 170652957) is N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenyl-1,2-dihydroquinolin-2-yl)fluoren-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenyl-1,2-dihydroquinolin-2-yl)fluoren-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenyl-1,2-dihydroquinolin-2-yl)fluoren-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc4c3-c3ccc(C5Nc6ccccc6C=C5c5ccccc5)cc3C4(C)C)cc21.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenyl-1,2-dihydroquinolin-2-yl)fluoren-4-amine?
The InChIKey is KNMDCNDFOMPESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H48N2S/c1-62(2)52-23-11-9-19-46(52)47-35-33-44(38-55(47)62)65(43-31-28-40(29-32-43)45-21-14-22-49-48-20-10-13-27-58(48)66-61(45)49)57-26-15-24-53-59(57)50-34-30-42(37-54(50)63(53,3)4)60-51(39-16-6-5-7-17-39)36-41-18-8-12-25-56(41)64-60/h5-38,60,64H,1-4H3.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenyl-1,2-dihydroquinolin-2-yl)fluoren-4-amine?
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenyl-1,2-dihydroquinolin-2-yl)fluoren-4-amine has a molecular weight of 865.16 g/mol, XLogP of 17.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenyl-1,2-dihydroquinolin-2-yl)fluoren-4-amine is sourced from PubChem (CID 170652957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).