9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine

C51H53GeN — CID 166025201

IUPAC9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine
SMILESCC(C)(C)c1ccc2c(c1)[Ge]1(c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C51H53GeN/c1-48(2,3)32-20-24-36-37-25-21-33(49(4,5)6)29-43(37)52(42(36)28-32)44-30-34(50(7,8)9)22-26-38(44)39-27-23-35(31-45(39)52)53-46-18-14-12-16-40(46)51(10,11)41-17-13-15-19-47(41)53/h12-31H,1-11H3
InChIKeyNLYJVYMNZWUTNJ-UHFFFAOYSA-N
MW752.60 g/mol
LogP11.03
Rot. Bonds1

About 9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine

9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine (PubChem CID 166025201) has the molecular formula C51H53GeN and a molecular weight of 752.60 g/mol. Its IUPAC name is 9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine.

Molecular Properties

Compound Name9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine
PubChem CID166025201
Molecular FormulaC51H53GeN
Molecular Weight752.60 g/mol
Exact Mass753.34
IUPAC Name9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine
SMILESCC(C)(C)c1ccc2c(c1)[Ge]1(c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C51H53GeN/c1-48(2,3)32-20-24-36-37-25-21-33(49(4,5)6)29-43(37)52(42(36)28-32)44-30-34(50(7,8)9)22-26-38(44)39-27-23-35(31-45(39)52)53-46-18-14-12-16-40(46)51(10,11)41-17-13-15-19-47(41)53/h12-31H,1-11H3
InChIKeyNLYJVYMNZWUTNJ-UHFFFAOYSA-N
XLogP11.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.60
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine with MolForge

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Related Compounds

5-(4-tert-butylphenyl)-10-(9,9-dimethylfluoren-2-yl)phenazine
CID 168782836
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
2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine
CID 135248210
3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771897
10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine
CID 168782831
9,9-dimethyl-10-phenanthren-3-ylacridine
CID 155173536
ethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine
CID 145348376
2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine
CID 58384128
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
2,7-ditert-butyl-10-[7-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-2-yl]-9,9-dimethylacridine
CID 58384126
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
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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine?
The IUPAC name of 9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine (CID 166025201) is 9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine.
What is the SMILES notation for 9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine?
The canonical SMILES for 9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine is CC(C)(C)c1ccc2c(c1)[Ge]1(c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.
What is the InChIKey of 9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine?
The InChIKey is NLYJVYMNZWUTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H53GeN/c1-48(2,3)32-20-24-36-37-25-21-33(49(4,5)6)29-43(37)52(42(36)28-32)44-30-34(50(7,8)9)22-26-38(44)39-27-23-35(31-45(39)52)53-46-18-14-12-16-40(46)51(10,11)41-17-13-15-19-47(41)53/h12-31H,1-11H3.
What are the key properties of 9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine?
9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine has a molecular weight of 752.60 g/mol, XLogP of 11.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine is sourced from PubChem (CID 166025201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).