N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-1-benzothiophen-7-amine

C58H39NS — CID 177098864

IUPACN-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-1-benzothiophen-7-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5ccsc45)ccc32)cc1
InChIInChI=1S/C58H39NS/c1-5-20-41(21-6-1)57(42-22-7-2-8-23-42)49-30-15-13-28-46(49)48-39-45(35-36-51(48)57)59(54-34-17-19-40-37-38-60-56(40)54)53-33-18-32-52-55(53)47-29-14-16-31-50(47)58(52,43-24-9-3-10-25-43)44-26-11-4-12-27-44/h1-39H
InChIKeyCVPZKBGHHMWMNE-UHFFFAOYSA-N
MW782.02 g/mol
LogP15.10
Rot. Bonds7

About N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-1-benzothiophen-7-amine

N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-1-benzothiophen-7-amine (PubChem CID 177098864) has the molecular formula C58H39NS and a molecular weight of 782.02 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-1-benzothiophen-7-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-1-benzothiophen-7-amine
PubChem CID177098864
Molecular FormulaC58H39NS
Molecular Weight782.02 g/mol
Exact Mass781.28
IUPAC NameN-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-1-benzothiophen-7-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5ccsc45)ccc32)cc1
InChIInChI=1S/C58H39NS/c1-5-20-41(21-6-1)57(42-22-7-2-8-23-42)49-30-15-13-28-46(49)48-39-45(35-36-51(48)57)59(54-34-17-19-40-37-38-60-56(40)54)53-33-18-32-52-55(53)47-29-14-16-31-50(47)58(52,43-24-9-3-10-25-43)44-26-11-4-12-27-44/h1-39H
InChIKeyCVPZKBGHHMWMNE-UHFFFAOYSA-N
XLogP15.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.02
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine
CID 177099122
N-[6-(1-benzothiophen-7-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine
CID 177099018
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine
CID 121423447
N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine
CID 177098702
N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121423683
N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine;N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-4-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 159770549
N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423691
N-(9,9-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423694
N-naphthalen-2-yl-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121464393
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 170143599
6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775466
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 121423710

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-1-benzothiophen-7-amine?
The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-1-benzothiophen-7-amine (CID 177098864) is N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-1-benzothiophen-7-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-1-benzothiophen-7-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-1-benzothiophen-7-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5ccsc45)ccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-1-benzothiophen-7-amine?
The InChIKey is CVPZKBGHHMWMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NS/c1-5-20-41(21-6-1)57(42-22-7-2-8-23-42)49-30-15-13-28-46(49)48-39-45(35-36-51(48)57)59(54-34-17-19-40-37-38-60-56(40)54)53-33-18-32-52-55(53)47-29-14-16-31-50(47)58(52,43-24-9-3-10-25-43)44-26-11-4-12-27-44/h1-39H.
What are the key properties of N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-1-benzothiophen-7-amine?
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-1-benzothiophen-7-amine has a molecular weight of 782.02 g/mol, XLogP of 15.10, 7 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-(9,9-diphenylfluoren-4-yl)-1-benzothiophen-7-amine is sourced from PubChem (CID 177098864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).