9-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-2,7-dimethyl-9-phenylfluoren-4-amine

C69H53NS — CID 164769136

IUPAC9-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-2,7-dimethyl-9-phenylfluoren-4-amine
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccc(-c3cccc4c3sc3ccccc34)cc1)c1cc(C)cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1-2
InChIInChI=1S/C69H53NS/c1-42-27-34-55-61(37-42)69(45-17-8-7-9-18-45,46-30-28-44(29-31-46)49-22-16-23-54-53-21-12-15-26-64(53)71-66(49)54)62-38-43(2)39-63(65(55)62)70(47-33-36-59-56(40-47)51-20-11-14-25-58(51)67(59,3)4)48-32-35-52-50-19-10-13-24-57(50)68(5,6)60(52)41-48/h7-41H,1-6H3
InChIKeyYLINZELFLQJGPA-UHFFFAOYSA-N
MW928.26 g/mol
LogP18.78
Rot. Bonds6

About 9-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-2,7-dimethyl-9-phenylfluoren-4-amine

9-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-2,7-dimethyl-9-phenylfluoren-4-amine (PubChem CID 164769136) has the molecular formula C69H53NS and a molecular weight of 928.26 g/mol. Its IUPAC name is 9-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-2,7-dimethyl-9-phenylfluoren-4-amine.

Molecular Properties

Compound Name9-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-2,7-dimethyl-9-phenylfluoren-4-amine
PubChem CID164769136
Molecular FormulaC69H53NS
Molecular Weight928.26 g/mol
Exact Mass927.39
IUPAC Name9-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-2,7-dimethyl-9-phenylfluoren-4-amine
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccc(-c3cccc4c3sc3ccccc34)cc1)c1cc(C)cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1-2
InChIInChI=1S/C69H53NS/c1-42-27-34-55-61(37-42)69(45-17-8-7-9-18-45,46-30-28-44(29-31-46)49-22-16-23-54-53-21-12-15-26-64(53)71-66(49)54)62-38-43(2)39-63(65(55)62)70(47-33-36-59-56(40-47)51-20-11-14-25-58(51)67(59,3)4)48-32-35-52-50-19-10-13-24-57(50)68(5,6)60(52)41-48/h7-41H,1-6H3
InChIKeyYLINZELFLQJGPA-UHFFFAOYSA-N
XLogP18.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.26
LogP ≤ 518.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-2,7-dimethyl-9-phenylfluoren-4-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381453
N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 134487986
N-[4-[9,9-bis(4-dibenzothiophen-4-ylphenyl)fluoren-4-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164769029
N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 162042014
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423435
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-3,9,9-triphenylfluoren-2-amine
CID 153433797
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine
CID 121423581
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 157435553
2-N,7-N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;7-dibenzothiophen-4-yl-N-[4-[4-(N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline;4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159051141
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-7-phenylfluoren-2-amine
CID 67964472
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
7-dibenzothiophen-4-yl-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 58113350

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-2,7-dimethyl-9-phenylfluoren-4-amine?
The IUPAC name of 9-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-2,7-dimethyl-9-phenylfluoren-4-amine (CID 164769136) is 9-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-2,7-dimethyl-9-phenylfluoren-4-amine.
What is the SMILES notation for 9-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-2,7-dimethyl-9-phenylfluoren-4-amine?
The canonical SMILES for 9-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-2,7-dimethyl-9-phenylfluoren-4-amine is Cc1ccc2c(c1)C(c1ccccc1)(c1ccc(-c3cccc4c3sc3ccccc34)cc1)c1cc(C)cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1-2.
What is the InChIKey of 9-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-2,7-dimethyl-9-phenylfluoren-4-amine?
The InChIKey is YLINZELFLQJGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H53NS/c1-42-27-34-55-61(37-42)69(45-17-8-7-9-18-45,46-30-28-44(29-31-46)49-22-16-23-54-53-21-12-15-26-64(53)71-66(49)54)62-38-43(2)39-63(65(55)62)70(47-33-36-59-56(40-47)51-20-11-14-25-58(51)67(59,3)4)48-32-35-52-50-19-10-13-24-57(50)68(5,6)60(52)41-48/h7-41H,1-6H3.
What are the key properties of 9-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-2,7-dimethyl-9-phenylfluoren-4-amine?
9-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-2,7-dimethyl-9-phenylfluoren-4-amine has a molecular weight of 928.26 g/mol, XLogP of 18.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-2,7-dimethyl-9-phenylfluoren-4-amine is sourced from PubChem (CID 164769136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).