N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine

C62H37NS — CID 118298519

IUPACN,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C62H37NS/c1-8-22-51-41(15-1)42-16-2-9-23-52(42)61(51)55-26-12-5-19-45(55)47-32-29-39(36-57(47)61)63(38-31-34-60-50(35-38)49-21-7-14-28-59(49)64-60)40-30-33-48-46-20-6-13-27-56(46)62(58(48)37-40)53-24-10-3-17-43(53)44-18-4-11-25-54(44)62/h1-37H
InChIKeyOZLSMUBLQFSVKJ-UHFFFAOYSA-N
MW828.05 g/mol
LogP16.21
Rot. Bonds3

About N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine

N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine (PubChem CID 118298519) has the molecular formula C62H37NS and a molecular weight of 828.05 g/mol. Its IUPAC name is N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
PubChem CID118298519
Molecular FormulaC62H37NS
Molecular Weight828.05 g/mol
Exact Mass827.26
IUPAC NameN,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C62H37NS/c1-8-22-51-41(15-1)42-16-2-9-23-52(42)61(51)55-26-12-5-19-45(55)47-32-29-39(36-57(47)61)63(38-31-34-60-50(35-38)49-21-7-14-28-59(49)64-60)40-30-33-48-46-20-6-13-27-56(46)62(58(48)37-40)53-24-10-3-17-43(53)44-18-4-11-25-54(44)62/h1-37H
InChIKeyOZLSMUBLQFSVKJ-UHFFFAOYSA-N
XLogP16.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.05
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667358
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139404238
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-2-amine
CID 121423623
N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177114131
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177114073
2-N'-dibenzothiophen-2-yl-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915452
N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309219
N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308714
N-dibenzothiophen-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163652161
N,N-bis(9,9-dimethylfluoren-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-amine
CID 146647948

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine?
The IUPAC name of N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine (CID 118298519) is N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine.
What is the SMILES notation for N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine?
The canonical SMILES for N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4sc5ccccc5c4c3)cc21.
What is the InChIKey of N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine?
The InChIKey is OZLSMUBLQFSVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37NS/c1-8-22-51-41(15-1)42-16-2-9-23-52(42)61(51)55-26-12-5-19-45(55)47-32-29-39(36-57(47)61)63(38-31-34-60-50(35-38)49-21-7-14-28-59(49)64-60)40-30-33-48-46-20-6-13-27-56(46)62(58(48)37-40)53-24-10-3-17-43(53)44-18-4-11-25-54(44)62/h1-37H.
What are the key properties of N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine?
N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine has a molecular weight of 828.05 g/mol, XLogP of 16.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine is sourced from PubChem (CID 118298519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).