N-(9,9'-spirobi[fluorene]-1-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-amine

C62H37NS — CID 135271149

IUPACN-(9,9'-spirobi[fluorene]-1-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4sc5ccccc5c34)cc21
InChIInChI=1S/C62H37NS/c1-8-25-48-39(17-1)40-18-2-9-26-49(40)61(48)50-27-10-3-21-43(50)45-36-35-38(37-54(45)61)63(55-31-16-34-58-59(55)47-23-7-14-33-57(47)64-58)56-32-15-24-46-44-22-6-13-30-53(44)62(60(46)56)51-28-11-4-19-41(51)42-20-5-12-29-52(42)62/h1-37H
InChIKeyZSWJQBMAMLUTHO-UHFFFAOYSA-N
MW828.05 g/mol
LogP16.21
Rot. Bonds3

About N-(9,9'-spirobi[fluorene]-1-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-amine

N-(9,9'-spirobi[fluorene]-1-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-amine (PubChem CID 135271149) has the molecular formula C62H37NS and a molecular weight of 828.05 g/mol. Its IUPAC name is N-(9,9'-spirobi[fluorene]-1-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(9,9'-spirobi[fluorene]-1-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-amine
PubChem CID135271149
Molecular FormulaC62H37NS
Molecular Weight828.05 g/mol
Exact Mass827.26
IUPAC NameN-(9,9'-spirobi[fluorene]-1-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4sc5ccccc5c34)cc21
InChIInChI=1S/C62H37NS/c1-8-25-48-39(17-1)40-18-2-9-26-49(40)61(48)50-27-10-3-21-43(50)45-36-35-38(37-54(45)61)63(55-31-16-34-58-59(55)47-23-7-14-33-57(47)64-58)56-32-15-24-46-44-22-6-13-30-53(44)62(60(46)56)51-28-11-4-19-41(51)42-20-5-12-29-52(42)62/h1-37H
InChIKeyZSWJQBMAMLUTHO-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

N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yldibenzothiophen-1-amine
CID 156664763
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-1-amine
CID 156664835
N-(9,9'-spirobi[fluorene]-2-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-1-amine
CID 130309037
N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-1'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-3'-amine
CID 158190990
N-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309086
4-N-dibenzothiophen-1-yl-2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 167177170
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 162771384
N-(2-dibenzothiophen-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 176583107
N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167293356
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583138
2-N'-dibenzothiophen-1-yl-2-N',5-N,5-N-triphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2',5-diamine
CID 168774981
N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 118298519

Frequently Asked Questions

What is the IUPAC name of N-(9,9'-spirobi[fluorene]-1-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-amine?
The IUPAC name of N-(9,9'-spirobi[fluorene]-1-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-amine (CID 135271149) is N-(9,9'-spirobi[fluorene]-1-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(9,9'-spirobi[fluorene]-1-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-amine?
The canonical SMILES for N-(9,9'-spirobi[fluorene]-1-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4sc5ccccc5c34)cc21.
What is the InChIKey of N-(9,9'-spirobi[fluorene]-1-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-amine?
The InChIKey is ZSWJQBMAMLUTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37NS/c1-8-25-48-39(17-1)40-18-2-9-26-49(40)61(48)50-27-10-3-21-43(50)45-36-35-38(37-54(45)61)63(55-31-16-34-58-59(55)47-23-7-14-33-57(47)64-58)56-32-15-24-46-44-22-6-13-30-53(44)62(60(46)56)51-28-11-4-19-41(51)42-20-5-12-29-52(42)62/h1-37H.
What are the key properties of N-(9,9'-spirobi[fluorene]-1-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-amine?
N-(9,9'-spirobi[fluorene]-1-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-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-(9,9'-spirobi[fluorene]-1-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-amine is sourced from PubChem (CID 135271149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).