N-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine

C68H45NS — CID 177099071

IUPACN-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5cc(-c6ccc7sccc7c6)ccc5c4)ccc32)cc1
InChIInChI=1S/C68H45NS/c1-5-17-51(18-6-1)67(52-19-7-2-8-20-52)63-28-16-14-26-59(63)61-44-56(35-37-64(61)67)69(55-33-31-47-41-46(29-30-49(47)43-55)48-32-38-66-50(42-48)39-40-70-66)57-34-36-60-58-25-13-15-27-62(58)68(65(60)45-57,53-21-9-3-10-22-53)54-23-11-4-12-24-54/h1-45H
InChIKeyVMUKYGLFVMKAPQ-UHFFFAOYSA-N
MW908.18 g/mol
LogP17.92
Rot. Bonds8

About N-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine

N-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine (PubChem CID 177099071) has the molecular formula C68H45NS and a molecular weight of 908.18 g/mol. Its IUPAC name is N-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
PubChem CID177099071
Molecular FormulaC68H45NS
Molecular Weight908.18 g/mol
Exact Mass907.33
IUPAC NameN-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5cc(-c6ccc7sccc7c6)ccc5c4)ccc32)cc1
InChIInChI=1S/C68H45NS/c1-5-17-51(18-6-1)67(52-19-7-2-8-20-52)63-28-16-14-26-59(63)61-44-56(35-37-64(61)67)69(55-33-31-47-41-46(29-30-49(47)43-55)48-32-38-66-50(42-48)39-40-70-66)57-34-36-60-58-25-13-15-27-62(58)68(65(60)45-57,53-21-9-3-10-22-53)54-23-11-4-12-24-54/h1-45H
InChIKeyVMUKYGLFVMKAPQ-UHFFFAOYSA-N
XLogP17.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.18
LogP ≤ 517.92
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-2-amine
CID 177099024
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-[3-(1-benzothiophen-5-yl)-5-cyclopentylphenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 177098908
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874
N-(9,9-diphenylfluoren-3-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121423646
N,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine
CID 177099043
N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 122448831
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine
CID 170277077
N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 146540100
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166566308

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine (CID 177099071) is N-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5cc(-c6ccc7sccc7c6)ccc5c4)ccc32)cc1.
What is the InChIKey of N-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine?
The InChIKey is VMUKYGLFVMKAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45NS/c1-5-17-51(18-6-1)67(52-19-7-2-8-20-52)63-28-16-14-26-59(63)61-44-56(35-37-64(61)67)69(55-33-31-47-41-46(29-30-49(47)43-55)48-32-38-66-50(42-48)39-40-70-66)57-34-36-60-58-25-13-15-27-62(58)68(65(60)45-57,53-21-9-3-10-22-53)54-23-11-4-12-24-54/h1-45H.
What are the key properties of N-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine?
N-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine has a molecular weight of 908.18 g/mol, XLogP of 17.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 177099071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).