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

C75H47NS2 — CID 167095079

IUPACN-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc21
InChIInChI=1S/C75H47NS2/c1-6-25-55-48(20-1)49-21-2-7-26-56(49)73(55)57-27-8-3-22-50(57)52-42-40-46(44-65(52)73)76(47-41-43-53-51-23-4-9-28-58(51)75(66(53)45-47)62-32-13-17-38-70(62)78-71-39-18-14-33-63(71)75)67-35-19-34-64-72(67)54-24-5-10-29-59(54)74(64)60-30-11-15-36-68(60)77-69-37-16-12-31-61(69)74/h1,3-20,22-45H,2,21H2
InChIKeyQKLUACVNBOLQRL-UHFFFAOYSA-N
MW1026.34 g/mol
LogP19.24
Rot. Bonds3

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

N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine (PubChem CID 167095079) has the molecular formula C75H47NS2 and a molecular weight of 1026.34 g/mol. Its IUPAC name is N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine.

Molecular Properties

Compound NameN-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
PubChem CID167095079
Molecular FormulaC75H47NS2
Molecular Weight1026.34 g/mol
Exact Mass1025.31
IUPAC NameN-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc21
InChIInChI=1S/C75H47NS2/c1-6-25-55-48(20-1)49-21-2-7-26-56(49)73(55)57-27-8-3-22-50(57)52-42-40-46(44-65(52)73)76(47-41-43-53-51-23-4-9-28-58(51)75(66(53)45-47)62-32-13-17-38-70(62)78-71-39-18-14-33-63(71)75)67-35-19-34-64-72(67)54-24-5-10-29-59(54)74(64)60-30-11-15-36-68(60)77-69-37-16-12-31-61(69)74/h1,3-20,22-45H,2,21H2
InChIKeyQKLUACVNBOLQRL-UHFFFAOYSA-N
XLogP19.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001026.34
LogP ≤ 519.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine with MolForge

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138477289
N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138477907
N-naphthalen-2-yl-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 145291040
N-(9,9-diphenylfluoren-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476709
N-(6,7-dihydrodibenzothiophen-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 146658905
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138477601
N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-thioxanthene]-4-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-xanthene]-2-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 160801103
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine
CID 121391863
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477453
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476470

Frequently Asked Questions

What is the IUPAC name of N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The IUPAC name of N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine (CID 167095079) is N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine.
What is the SMILES notation for N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The canonical SMILES for N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine is C1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc21.
What is the InChIKey of N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The InChIKey is QKLUACVNBOLQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H47NS2/c1-6-25-55-48(20-1)49-21-2-7-26-56(49)73(55)57-27-8-3-22-50(57)52-42-40-46(44-65(52)73)76(47-41-43-53-51-23-4-9-28-58(51)75(66(53)45-47)62-32-13-17-38-70(62)78-71-39-18-14-33-63(71)75)67-35-19-34-64-72(67)54-24-5-10-29-59(54)74(64)60-30-11-15-36-68(60)77-69-37-16-12-31-61(69)74/h1,3-20,22-45H,2,21H2.
What are the key properties of N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine has a molecular weight of 1026.34 g/mol, XLogP of 19.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine is sourced from PubChem (CID 167095079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).