2,7-ditert-butyl-10-[8-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine

C58H66N2S — CID 145010373

IUPAC2,7-ditert-butyl-10-[8-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1N2c1ccc2sc3ccc(N4c5ccc(C(C)(C)C)cc5C(C)(C)c5cc(C(C)(C)C)ccc54)cc3c2c1
InChIInChI=1S/C58H66N2S/c1-53(2,3)35-17-23-47-43(29-35)57(13,14)44-30-36(54(4,5)6)18-24-48(44)59(47)39-21-27-51-41(33-39)42-34-40(22-28-52(42)61-51)60-49-25-19-37(55(7,8)9)31-45(49)58(15,16)46-32-38(56(10,11)12)20-26-50(46)60/h17-34H,1-16H3
InChIKeyLKUFCKVXYMZFSC-UHFFFAOYSA-N
MW823.25 g/mol
LogP17.46
Rot. Bonds2

About 2,7-ditert-butyl-10-[8-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine

2,7-ditert-butyl-10-[8-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine (PubChem CID 145010373) has the molecular formula C58H66N2S and a molecular weight of 823.25 g/mol. Its IUPAC name is 2,7-ditert-butyl-10-[8-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name2,7-ditert-butyl-10-[8-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine
PubChem CID145010373
Molecular FormulaC58H66N2S
Molecular Weight823.25 g/mol
Exact Mass822.49
IUPAC Name2,7-ditert-butyl-10-[8-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1N2c1ccc2sc3ccc(N4c5ccc(C(C)(C)C)cc5C(C)(C)c5cc(C(C)(C)C)ccc54)cc3c2c1
InChIInChI=1S/C58H66N2S/c1-53(2,3)35-17-23-47-43(29-35)57(13,14)44-30-36(54(4,5)6)18-24-48(44)59(47)39-21-27-51-41(33-39)42-34-40(22-28-52(42)61-51)60-49-25-19-37(55(7,8)9)31-45(49)58(15,16)46-32-38(56(10,11)12)20-26-50(46)60/h17-34H,1-16H3
InChIKeyLKUFCKVXYMZFSC-UHFFFAOYSA-N
XLogP17.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.25
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-benzothiophen-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 11588595
1-dibenzothiophen-2-yl-3,4-dihydro-2H-quinoline
CID 168272893
N-([1,1'-biphenyl]-4-yl)-N-(4-(dibenzo-thiophen-2-yl)phenyl)dibenzo[b,d]thiophen-2-amine
CID 68230511
7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(8-methyldibenzothiophen-2-yl)-2-N-phenylfluorene-2,7-diamine
CID 23593181
N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzothiophen-2-amine
CID 23594454
2-(3-Dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine
CID 71003877
2-(3-Dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine
CID 71003879
10-[3-(3-Dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-7,9,9-triphenylacridine
CID 71003885
10-[3-(3-Dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine
CID 71003927
2-Dibenzothiophen-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane]
CID 71003931
2-Dibenzothiophen-2-yl-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine
CID 71003982
2-Dibenzothiophen-2-yl-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine
CID 71003987

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-10-[8-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine?
The IUPAC name of 2,7-ditert-butyl-10-[8-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine (CID 145010373) is 2,7-ditert-butyl-10-[8-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine.
What is the SMILES notation for 2,7-ditert-butyl-10-[8-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine?
The canonical SMILES for 2,7-ditert-butyl-10-[8-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1N2c1ccc2sc3ccc(N4c5ccc(C(C)(C)C)cc5C(C)(C)c5cc(C(C)(C)C)ccc54)cc3c2c1.
What is the InChIKey of 2,7-ditert-butyl-10-[8-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine?
The InChIKey is LKUFCKVXYMZFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H66N2S/c1-53(2,3)35-17-23-47-43(29-35)57(13,14)44-30-36(54(4,5)6)18-24-48(44)59(47)39-21-27-51-41(33-39)42-34-40(22-28-52(42)61-51)60-49-25-19-37(55(7,8)9)31-45(49)58(15,16)46-32-38(56(10,11)12)20-26-50(46)60/h17-34H,1-16H3.
What are the key properties of 2,7-ditert-butyl-10-[8-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine?
2,7-ditert-butyl-10-[8-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine has a molecular weight of 823.25 g/mol, XLogP of 17.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-10-[8-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine is sourced from PubChem (CID 145010373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).