2-N,2-N-diphenyl-6-N-(6'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzothiophene-2,6-diamine

C55H36N2S2 — CID 166958559

IUPAC2-N,2-N-diphenyl-6-N-(6'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzothiophene-2,6-diamine
SMILESc1ccc(-c2ccc3c(c2)Sc2cc(Nc4cccc5c4sc4ccc(N(c6ccccc6)c6ccccc6)cc45)ccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C55H36N2S2/c1-4-15-36(16-5-1)37-27-30-48-52(33-37)58-53-34-38(28-31-49(53)55(48)46-24-12-10-21-42(46)43-22-11-13-25-47(43)55)56-50-26-14-23-44-45-35-41(29-32-51(45)59-54(44)50)57(39-17-6-2-7-18-39)40-19-8-3-9-20-40/h1-35,56H
InChIKeyTXJVRASAJZCCSI-UHFFFAOYSA-N
MW789.04 g/mol
LogP15.76
Rot. Bonds6

About 2-N,2-N-diphenyl-6-N-(6'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzothiophene-2,6-diamine

2-N,2-N-diphenyl-6-N-(6'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzothiophene-2,6-diamine (PubChem CID 166958559) has the molecular formula C55H36N2S2 and a molecular weight of 789.04 g/mol. Its IUPAC name is 2-N,2-N-diphenyl-6-N-(6'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzothiophene-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N-diphenyl-6-N-(6'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzothiophene-2,6-diamine
PubChem CID166958559
Molecular FormulaC55H36N2S2
Molecular Weight789.04 g/mol
Exact Mass788.23
IUPAC Name2-N,2-N-diphenyl-6-N-(6'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzothiophene-2,6-diamine
SMILESc1ccc(-c2ccc3c(c2)Sc2cc(Nc4cccc5c4sc4ccc(N(c6ccccc6)c6ccccc6)cc45)ccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C55H36N2S2/c1-4-15-36(16-5-1)37-27-30-48-52(33-37)58-53-34-38(28-31-49(53)55(48)46-24-12-10-21-42(46)43-22-11-13-25-47(43)55)56-50-26-14-23-44-45-35-41(29-32-51(45)59-54(44)50)57(39-17-6-2-7-18-39)40-19-8-3-9-20-40/h1-35,56H
InChIKeyTXJVRASAJZCCSI-UHFFFAOYSA-N
XLogP15.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.04
LogP ≤ 515.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine
CID 169305108
N-[8-(1,3-diphenylpropyl)dibenzothiophen-4-yl]-N,6'-diphenylspiro[fluorene-9,9'-thioxanthene]-3'-amine
CID 166958511
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425102
N-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine
CID 164707097
N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 138669021
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391793
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476010
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-6-[2-(N-phenylanilino)-9,9'-spirobi[fluorene]-4'-yl]dibenzothiophen-2-amine
CID 164934267
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121381508
5-(3-dibenzothiophen-2-ylphenyl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-3-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 134471524
8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 163980178
N-(4-naphtho[1,2-b][1]benzothiol-5-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118910861

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diphenyl-6-N-(6'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzothiophene-2,6-diamine?
The IUPAC name of 2-N,2-N-diphenyl-6-N-(6'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzothiophene-2,6-diamine (CID 166958559) is 2-N,2-N-diphenyl-6-N-(6'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzothiophene-2,6-diamine.
What is the SMILES notation for 2-N,2-N-diphenyl-6-N-(6'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzothiophene-2,6-diamine?
The canonical SMILES for 2-N,2-N-diphenyl-6-N-(6'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzothiophene-2,6-diamine is c1ccc(-c2ccc3c(c2)Sc2cc(Nc4cccc5c4sc4ccc(N(c6ccccc6)c6ccccc6)cc45)ccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-N,2-N-diphenyl-6-N-(6'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzothiophene-2,6-diamine?
The InChIKey is TXJVRASAJZCCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2S2/c1-4-15-36(16-5-1)37-27-30-48-52(33-37)58-53-34-38(28-31-49(53)55(48)46-24-12-10-21-42(46)43-22-11-13-25-47(43)55)56-50-26-14-23-44-45-35-41(29-32-51(45)59-54(44)50)57(39-17-6-2-7-18-39)40-19-8-3-9-20-40/h1-35,56H.
What are the key properties of 2-N,2-N-diphenyl-6-N-(6'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzothiophene-2,6-diamine?
2-N,2-N-diphenyl-6-N-(6'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzothiophene-2,6-diamine has a molecular weight of 789.04 g/mol, XLogP of 15.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diphenyl-6-N-(6'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzothiophene-2,6-diamine is sourced from PubChem (CID 166958559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).