N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine

C37H23NS — CID 171444458

IUPACN-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(Nc3cccc4c3sc3ccccc34)cccc21
InChIInChI=1S/C37H23NS/c1-5-16-28-23(11-1)24-12-2-6-17-29(24)37(28)30-18-7-3-14-27(30)35-31(37)19-10-20-32(35)38-33-21-9-15-26-25-13-4-8-22-34(25)39-36(26)33/h1-22,38H
InChIKeyRPQQSMDVGDRQFS-UHFFFAOYSA-N
MW513.67 g/mol
LogP10.14
Rot. Bonds2

About N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine

N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine (PubChem CID 171444458) has the molecular formula C37H23NS and a molecular weight of 513.67 g/mol. Its IUPAC name is N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
PubChem CID171444458
Molecular FormulaC37H23NS
Molecular Weight513.67 g/mol
Exact Mass513.16
IUPAC NameN-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(Nc3cccc4c3sc3ccccc34)cccc21
InChIInChI=1S/C37H23NS/c1-5-16-28-23(11-1)24-12-2-6-17-29(24)37(28)30-18-7-3-14-27(30)35-31(37)19-10-20-32(35)38-33-21-9-15-26-25-13-4-8-22-34(25)39-36(26)33/h1-22,38H
InChIKeyRPQQSMDVGDRQFS-UHFFFAOYSA-N
XLogP10.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.67
LogP ≤ 510.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 146333073
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzothiophen-1-amine
CID 172544806
spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole]
CID 122627254
N-pyren-1-yldibenzothiophen-4-amine
CID 137457081
4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene
CID 102194736
N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 177286416
N-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 172544718
3-benzyldibenzofuran;2-benzyl-9,9-dimethylfluorene;N-phenyldibenzofuran-2-amine;N-phenyldibenzothiophen-2-amine;N-phenylnaphtho[1,2-b][1]benzothiol-10-amine;N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 159535610
4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene
CID 66686478
N-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 146333010
N,N-dimethyl-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-1-ylaniline
CID 159044706
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475881

Frequently Asked Questions

What is the IUPAC name of N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine?
The IUPAC name of N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine (CID 171444458) is N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine?
The canonical SMILES for N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(Nc3cccc4c3sc3ccccc34)cccc21.
What is the InChIKey of N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine?
The InChIKey is RPQQSMDVGDRQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23NS/c1-5-16-28-23(11-1)24-12-2-6-17-29(24)37(28)30-18-7-3-14-27(30)35-31(37)19-10-20-32(35)38-33-21-9-15-26-25-13-4-8-22-34(25)39-36(26)33/h1-22,38H.
What are the key properties of N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine?
N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine has a molecular weight of 513.67 g/mol, XLogP of 10.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine is sourced from PubChem (CID 171444458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).