N,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine

C64H51NS — CID 177099043

IUPACN,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine
SMILESCCCc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccc(CCC)cc4)c4ccccc4-5)c4ccc5sccc5c4)cc32)cc1
InChIInChI=1S/C64H51NS/c1-3-15-44-25-29-49(30-26-44)63(47-17-7-5-8-18-47)58-23-13-11-21-54(58)56-36-33-52(42-60(56)63)65(51-35-38-62-46(41-51)39-40-66-62)53-34-37-57-55-22-12-14-24-59(55)64(61(57)43-53,48-19-9-6-10-20-48)50-31-27-45(16-4-2)28-32-50/h5-14,17-43H,3-4,15-16H2,1-2H3
InChIKeyVHFMZBZVIQKRSH-UHFFFAOYSA-N
MW866.19 g/mol
LogP17.00
Rot. Bonds11

About N,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine

N,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine (PubChem CID 177099043) has the molecular formula C64H51NS and a molecular weight of 866.19 g/mol. Its IUPAC name is N,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine
PubChem CID177099043
Molecular FormulaC64H51NS
Molecular Weight866.19 g/mol
Exact Mass865.37
IUPAC NameN,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine
SMILESCCCc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccc(CCC)cc4)c4ccccc4-5)c4ccc5sccc5c4)cc32)cc1
InChIInChI=1S/C64H51NS/c1-3-15-44-25-29-49(30-26-44)63(47-17-7-5-8-18-47)58-23-13-11-21-54(58)56-36-33-52(42-60(56)63)65(51-35-38-62-46(41-51)39-40-66-62)53-34-37-57-55-22-12-14-24-59(55)64(61(57)43-53,48-19-9-6-10-20-48)50-31-27-45(16-4-2)28-32-50/h5-14,17-43H,3-4,15-16H2,1-2H3
InChIKeyVHFMZBZVIQKRSH-UHFFFAOYSA-N
XLogP17.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.19
LogP ≤ 517.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine
CID 177067313
N-[4-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 146414854
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-(9,9-diphenylfluoren-3-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1-benzothiophen-5-amine
CID 177098746
N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine
CID 139762426
N-[4-(1-benzothiophen-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 177098975
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine
CID 170277077
N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
CID 177067093
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190

Frequently Asked Questions

What is the IUPAC name of N,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine?
The IUPAC name of N,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine (CID 177099043) is N,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine.
What is the SMILES notation for N,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine?
The canonical SMILES for N,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine is CCCc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccc(CCC)cc4)c4ccccc4-5)c4ccc5sccc5c4)cc32)cc1.
What is the InChIKey of N,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine?
The InChIKey is VHFMZBZVIQKRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H51NS/c1-3-15-44-25-29-49(30-26-44)63(47-17-7-5-8-18-47)58-23-13-11-21-54(58)56-36-33-52(42-60(56)63)65(51-35-38-62-46(41-51)39-40-66-62)53-34-37-57-55-22-12-14-24-59(55)64(61(57)43-53,48-19-9-6-10-20-48)50-31-27-45(16-4-2)28-32-50/h5-14,17-43H,3-4,15-16H2,1-2H3.
What are the key properties of N,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine?
N,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine has a molecular weight of 866.19 g/mol, XLogP of 17.00, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine is sourced from PubChem (CID 177099043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).