N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine

C58H39NS — CID 177099122

IUPACN-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5ccsc45)ccc32)cc1
InChIInChI=1S/C58H39NS/c1-5-19-41(20-6-1)57(42-21-7-2-8-22-42)52-30-16-14-28-48(52)50-38-45(33-35-53(50)57)59(55-31-17-18-40-36-37-60-56(40)55)46-32-34-49-47-27-13-15-29-51(47)58(54(49)39-46,43-23-9-3-10-24-43)44-25-11-4-12-26-44/h1-39H
InChIKeyPXVVNJZTJWWGLZ-UHFFFAOYSA-N
MW782.02 g/mol
LogP15.10
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine

N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine (PubChem CID 177099122) has the molecular formula C58H39NS and a molecular weight of 782.02 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine
PubChem CID177099122
Molecular FormulaC58H39NS
Molecular Weight782.02 g/mol
Exact Mass781.28
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5ccsc45)ccc32)cc1
InChIInChI=1S/C58H39NS/c1-5-19-41(20-6-1)57(42-21-7-2-8-22-42)52-30-16-14-28-48(52)50-38-45(33-35-53(50)57)59(55-31-17-18-40-36-37-60-56(40)55)46-32-34-49-47-27-13-15-29-51(47)58(54(49)39-46,43-23-9-3-10-24-43)44-25-11-4-12-26-44/h1-39H
InChIKeyPXVVNJZTJWWGLZ-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

Analyze N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine with MolForge

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Related Compounds

N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine
CID 177098702
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)-1-benzothiophen-7-amine
CID 177098864
N,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-4-amine
CID 177098967
N-[4-(1-benzothiophen-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 177099024
N-(9,9-diphenylfluoren-3-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121423646
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine
CID 121423447
N-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 177099071
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 146247516
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1,3-benzoxathiol-7-amine
CID 177099057
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 177114095

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine (CID 177099122) is N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5ccsc45)ccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine?
The InChIKey is PXVVNJZTJWWGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NS/c1-5-19-41(20-6-1)57(42-21-7-2-8-22-42)52-30-16-14-28-48(52)50-38-45(33-35-53(50)57)59(55-31-17-18-40-36-37-60-56(40)55)46-32-34-49-47-27-13-15-29-51(47)58(54(49)39-46,43-23-9-3-10-24-43)44-25-11-4-12-26-44/h1-39H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine?
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-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-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine is sourced from PubChem (CID 177099122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).