N-dibenzothiophen-3-yl-2-methyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-4-amine

C63H39NS3 — CID 146658904

IUPACN-dibenzothiophen-3-yl-2-methyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
SMILESCc1cc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)c2ccc3c(c2)sc2ccccc23)c2c(c1)C1(c3ccccc3Sc3ccccc31)c1ccccc1-2
InChIInChI=1S/C63H39NS3/c1-38-34-53-61(45-18-3-6-20-47(45)63(53)50-23-9-14-28-58(50)67-59-29-15-10-24-51(59)63)54(35-38)64(40-31-33-44-43-17-4-11-25-55(43)65-60(44)37-40)39-30-32-42-41-16-2-5-19-46(41)62(52(42)36-39)48-21-7-12-26-56(48)66-57-27-13-8-22-49(57)62/h2-37H,1H3
InChIKeyMRZQDMUGUNRFMB-UHFFFAOYSA-N
MW906.21 g/mol
LogP17.49
Rot. Bonds3

About N-dibenzothiophen-3-yl-2-methyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-4-amine

N-dibenzothiophen-3-yl-2-methyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-4-amine (PubChem CID 146658904) has the molecular formula C63H39NS3 and a molecular weight of 906.21 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-2-methyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-2-methyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
PubChem CID146658904
Molecular FormulaC63H39NS3
Molecular Weight906.21 g/mol
Exact Mass905.22
IUPAC NameN-dibenzothiophen-3-yl-2-methyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
SMILESCc1cc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)c2ccc3c(c2)sc2ccccc23)c2c(c1)C1(c3ccccc3Sc3ccccc31)c1ccccc1-2
InChIInChI=1S/C63H39NS3/c1-38-34-53-61(45-18-3-6-20-47(45)63(53)50-23-9-14-28-58(50)67-59-29-15-10-24-51(59)63)54(35-38)64(40-31-33-44-43-17-4-11-25-55(43)65-60(44)37-40)39-30-32-42-41-16-2-5-19-46(41)62(52(42)36-39)48-21-7-12-26-56(48)66-57-27-13-8-22-49(57)62/h2-37H,1H3
InChIKeyMRZQDMUGUNRFMB-UHFFFAOYSA-N
XLogP17.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.21
LogP ≤ 517.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,3-diamine
CID 169305086
N-dibenzothiophen-3-yl-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
CID 164794936
N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476996
N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine
CID 162771361
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138477289
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138476718
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476738
2,7-ditert-butyl-N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine
CID 174290586
N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-3-amine
CID 165158322
N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138477237
N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138477907
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90154222

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-2-methyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-4-amine?
The IUPAC name of N-dibenzothiophen-3-yl-2-methyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-4-amine (CID 146658904) is N-dibenzothiophen-3-yl-2-methyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-4-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-2-methyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-4-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-2-methyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-4-amine is Cc1cc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)c2ccc3c(c2)sc2ccccc23)c2c(c1)C1(c3ccccc3Sc3ccccc31)c1ccccc1-2.
What is the InChIKey of N-dibenzothiophen-3-yl-2-methyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-4-amine?
The InChIKey is MRZQDMUGUNRFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39NS3/c1-38-34-53-61(45-18-3-6-20-47(45)63(53)50-23-9-14-28-58(50)67-59-29-15-10-24-51(59)63)54(35-38)64(40-31-33-44-43-17-4-11-25-55(43)65-60(44)37-40)39-30-32-42-41-16-2-5-19-46(41)62(52(42)36-39)48-21-7-12-26-56(48)66-57-27-13-8-22-49(57)62/h2-37H,1H3.
What are the key properties of N-dibenzothiophen-3-yl-2-methyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-4-amine?
N-dibenzothiophen-3-yl-2-methyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-4-amine has a molecular weight of 906.21 g/mol, XLogP of 17.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-2-methyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-4-amine is sourced from PubChem (CID 146658904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).