2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine

C64H60N2 — CID 144530914

IUPAC2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine
SMILESCCC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N4c5ccccc5C(C)(C)c5cc(C(C)(C)C)ccc54)ccc2-3)c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C64H60N2/c1-11-63(10)51-25-17-19-27-57(51)66(59-35-29-41(37-55(59)63)61(5,6)7)43-31-33-47-46-32-30-42(38-52(46)64(53(47)39-43)48-22-14-12-20-44(48)45-21-13-15-23-49(45)64)65-56-26-18-16-24-50(56)62(8,9)54-36-40(60(2,3)4)28-34-58(54)65/h12-39H,11H2,1-10H3
InChIKeyMATFOCUSVHJHDQ-UHFFFAOYSA-N
MW857.20 g/mol
LogP17.23
Rot. Bonds3

About 2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine

2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine (PubChem CID 144530914) has the molecular formula C64H60N2 and a molecular weight of 857.20 g/mol. Its IUPAC name is 2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine.

Molecular Properties

Compound Name2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine
PubChem CID144530914
Molecular FormulaC64H60N2
Molecular Weight857.20 g/mol
Exact Mass856.48
IUPAC Name2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine
SMILESCCC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N4c5ccccc5C(C)(C)c5cc(C(C)(C)C)ccc54)ccc2-3)c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C64H60N2/c1-11-63(10)51-25-17-19-27-57(51)66(59-35-29-41(37-55(59)63)61(5,6)7)43-31-33-47-46-32-30-42(38-52(46)64(53(47)39-43)48-22-14-12-20-44(48)45-21-13-15-23-49(45)64)65-56-26-18-16-24-50(56)62(8,9)54-36-40(60(2,3)4)28-34-58(54)65/h12-39H,11H2,1-10H3
InChIKeyMATFOCUSVHJHDQ-UHFFFAOYSA-N
XLogP17.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.20
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-tert-butylphenyl)-10-(9,9-dimethylfluoren-2-yl)phenazine
CID 168782836
9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine
CID 166025201
2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine
CID 135248210
9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine
CID 159439505
9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;10-(2'-fluoro-7,7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-9,9-dimethylacridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine
CID 159221701
CID 58389434
CID 58389434
32-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-14-phenyl-12-azanonacyclo[23.9.2.28,11.113,17.01,9.02,7.018,23.028,35.029,34]nonatriaconta-2,4,6,8,10,13,15,17(37),18,20,22,25(36),26,28(35),29(34),30,32,38-octadecaene
CID 171799059
14-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 130262419
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene]
CID 143268544
10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine
CID 168782831
2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine
CID 58384128

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine?
The IUPAC name of 2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine (CID 144530914) is 2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine.
What is the SMILES notation for 2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine?
The canonical SMILES for 2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine is CCC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N4c5ccccc5C(C)(C)c5cc(C(C)(C)C)ccc54)ccc2-3)c2ccc(C(C)(C)C)cc21.
What is the InChIKey of 2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine?
The InChIKey is MATFOCUSVHJHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H60N2/c1-11-63(10)51-25-17-19-27-57(51)66(59-35-29-41(37-55(59)63)61(5,6)7)43-31-33-47-46-32-30-42(38-52(46)64(53(47)39-43)48-22-14-12-20-44(48)45-21-13-15-23-49(45)64)65-56-26-18-16-24-50(56)62(8,9)54-36-40(60(2,3)4)28-34-58(54)65/h12-39H,11H2,1-10H3.
What are the key properties of 2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine?
2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine has a molecular weight of 857.20 g/mol, XLogP of 17.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine is sourced from PubChem (CID 144530914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).