N-[3-(1-benzothiophen-5-yl)-5-cyclopentylphenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine

C69H51NS — CID 177098908

IUPACN-[3-(1-benzothiophen-5-yl)-5-cyclopentylphenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cc(-c5ccc6sccc6c5)cc(C5CCCC5)c4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C69H51NS/c1-5-21-52(22-6-1)68(53-23-7-2-8-24-53)64-32-18-16-30-60(64)62-45-56(35-37-65(62)68)70(58-43-50(47-19-13-14-20-47)42-51(44-58)48-33-38-67-49(41-48)39-40-71-67)57-34-36-61-59-29-15-17-31-63(59)69(66(61)46-57,54-25-9-3-10-26-54)55-27-11-4-12-28-55/h1-12,15-18,21-47H,13-14,19-20H2
InChIKeyJIAPVTIFZZUSED-UHFFFAOYSA-N
MW926.24 g/mol
LogP18.42
Rot. Bonds9

About N-[3-(1-benzothiophen-5-yl)-5-cyclopentylphenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine

N-[3-(1-benzothiophen-5-yl)-5-cyclopentylphenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine (PubChem CID 177098908) has the molecular formula C69H51NS and a molecular weight of 926.24 g/mol. Its IUPAC name is N-[3-(1-benzothiophen-5-yl)-5-cyclopentylphenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[3-(1-benzothiophen-5-yl)-5-cyclopentylphenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
PubChem CID177098908
Molecular FormulaC69H51NS
Molecular Weight926.24 g/mol
Exact Mass925.37
IUPAC NameN-[3-(1-benzothiophen-5-yl)-5-cyclopentylphenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cc(-c5ccc6sccc6c5)cc(C5CCCC5)c4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C69H51NS/c1-5-21-52(22-6-1)68(53-23-7-2-8-24-53)64-32-18-16-30-60(64)62-45-56(35-37-65(62)68)70(58-43-50(47-19-13-14-20-47)42-51(44-58)48-33-38-67-49(41-48)39-40-71-67)57-34-36-61-59-29-15-17-31-63(59)69(66(61)46-57,54-25-9-3-10-26-54)55-27-11-4-12-28-55/h1-12,15-18,21-47H,13-14,19-20H2
InChIKeyJIAPVTIFZZUSED-UHFFFAOYSA-N
XLogP18.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.24
LogP ≤ 518.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[3-(1-benzothiophen-5-yl)-5-cyclopentylphenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine with MolForge

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Related Compounds

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-[4-(1-benzothiophen-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 177098975
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1-benzothiophen-5-amine
CID 177098746
N-[6-(1-benzofuran-5-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-5-amine
CID 177098730
N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine
CID 166021013
N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 176611605
N,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine
CID 177099043
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine
CID 170277077
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 121423591
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874
N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298464

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzothiophen-5-yl)-5-cyclopentylphenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-[3-(1-benzothiophen-5-yl)-5-cyclopentylphenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine (CID 177098908) is N-[3-(1-benzothiophen-5-yl)-5-cyclopentylphenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-[3-(1-benzothiophen-5-yl)-5-cyclopentylphenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-[3-(1-benzothiophen-5-yl)-5-cyclopentylphenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cc(-c5ccc6sccc6c5)cc(C5CCCC5)c4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1.
What is the InChIKey of N-[3-(1-benzothiophen-5-yl)-5-cyclopentylphenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine?
The InChIKey is JIAPVTIFZZUSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H51NS/c1-5-21-52(22-6-1)68(53-23-7-2-8-24-53)64-32-18-16-30-60(64)62-45-56(35-37-65(62)68)70(58-43-50(47-19-13-14-20-47)42-51(44-58)48-33-38-67-49(41-48)39-40-71-67)57-34-36-61-59-29-15-17-31-63(59)69(66(61)46-57,54-25-9-3-10-26-54)55-27-11-4-12-28-55/h1-12,15-18,21-47H,13-14,19-20H2.
What are the key properties of N-[3-(1-benzothiophen-5-yl)-5-cyclopentylphenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine?
N-[3-(1-benzothiophen-5-yl)-5-cyclopentylphenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine has a molecular weight of 926.24 g/mol, XLogP of 18.42, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzothiophen-5-yl)-5-cyclopentylphenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 177098908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).