N-(9,9-diphenylfluoren-3-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1-benzothiophen-5-amine

C64H43NS — CID 177098746

IUPACN-(9,9-diphenylfluoren-3-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1-benzothiophen-5-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5ccc6sccc6c5)cc4)ccc32)cc1
InChIInChI=1S/C64H43NS/c1-5-17-47(18-6-1)63(48-19-7-2-8-20-48)58-27-15-13-25-54(58)56-42-45(31-36-60(56)63)44-29-32-51(33-30-44)65(52-35-38-62-46(41-52)39-40-66-62)53-34-37-61-57(43-53)55-26-14-16-28-59(55)64(61,49-21-9-3-10-22-49)50-23-11-4-12-24-50/h1-43H
InChIKeyVVGOGHGUECIFOY-UHFFFAOYSA-N
MW858.12 g/mol
LogP16.76
Rot. Bonds8

About N-(9,9-diphenylfluoren-3-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1-benzothiophen-5-amine

N-(9,9-diphenylfluoren-3-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1-benzothiophen-5-amine (PubChem CID 177098746) has the molecular formula C64H43NS and a molecular weight of 858.12 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-3-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1-benzothiophen-5-amine
PubChem CID177098746
Molecular FormulaC64H43NS
Molecular Weight858.12 g/mol
Exact Mass857.31
IUPAC NameN-(9,9-diphenylfluoren-3-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1-benzothiophen-5-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5ccc6sccc6c5)cc4)ccc32)cc1
InChIInChI=1S/C64H43NS/c1-5-17-47(18-6-1)63(48-19-7-2-8-20-48)58-27-15-13-25-54(58)56-42-45(31-36-60(56)63)44-29-32-51(33-30-44)65(52-35-38-62-46(41-52)39-40-66-62)53-34-37-61-57(43-53)55-26-14-16-28-59(55)64(61,49-21-9-3-10-22-49)50-23-11-4-12-24-50/h1-43H
InChIKeyVVGOGHGUECIFOY-UHFFFAOYSA-N
XLogP16.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.12
LogP ≤ 516.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1-benzothiophen-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 177098975
N-[4-(1-benzothiophen-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 177099024
N-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 177099071
N-[6-(1-benzofuran-5-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-5-amine
CID 177098730
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
N-[3-(1-benzothiophen-5-yl)-5-cyclopentylphenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 177098908
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121423858
N,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine
CID 177099043
9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine
CID 121464369
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 161038033

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1-benzothiophen-5-amine?
The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1-benzothiophen-5-amine (CID 177098746) is N-(9,9-diphenylfluoren-3-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1-benzothiophen-5-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1-benzothiophen-5-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1-benzothiophen-5-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5ccc6sccc6c5)cc4)ccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1-benzothiophen-5-amine?
The InChIKey is VVGOGHGUECIFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NS/c1-5-17-47(18-6-1)63(48-19-7-2-8-20-48)58-27-15-13-25-54(58)56-42-45(31-36-60(56)63)44-29-32-51(33-30-44)65(52-35-38-62-46(41-52)39-40-66-62)53-34-37-61-57(43-53)55-26-14-16-28-59(55)64(61,49-21-9-3-10-22-49)50-23-11-4-12-24-50/h1-43H.
What are the key properties of N-(9,9-diphenylfluoren-3-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1-benzothiophen-5-amine?
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1-benzothiophen-5-amine has a molecular weight of 858.12 g/mol, XLogP of 16.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-3-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1-benzothiophen-5-amine is sourced from PubChem (CID 177098746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).