2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine

C46H35N3O2S — CID 134237381

IUPAC2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine
SMILESCc1ccc(S(=O)(=O)N2c3ccc(-n4c5ccccc5c5ccccc54)cc3C(C)(C)c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C46H35N3O2S/c1-30-20-24-33(25-21-30)52(50,51)49-44-26-22-31(47-40-16-8-4-12-34(40)35-13-5-9-17-41(35)47)28-38(44)46(2,3)39-29-32(23-27-45(39)49)48-42-18-10-6-14-36(42)37-15-7-11-19-43(37)48/h4-29H,1-3H3
InChIKeyAJXFBDXPBQPXGX-UHFFFAOYSA-N
MW693.87 g/mol
LogP11.36
Rot. Bonds4

About 2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine

2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine (PubChem CID 134237381) has the molecular formula C46H35N3O2S and a molecular weight of 693.87 g/mol. Its IUPAC name is 2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine.

Molecular Properties

Compound Name2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine
PubChem CID134237381
Molecular FormulaC46H35N3O2S
Molecular Weight693.87 g/mol
Exact Mass693.24
IUPAC Name2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine
SMILESCc1ccc(S(=O)(=O)N2c3ccc(-n4c5ccccc5c5ccccc54)cc3C(C)(C)c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C46H35N3O2S/c1-30-20-24-33(25-21-30)52(50,51)49-44-26-22-31(47-40-16-8-4-12-34(40)35-13-5-9-17-41(35)47)28-38(44)46(2,3)39-29-32(23-27-45(39)49)48-42-18-10-6-14-36(42)37-15-7-11-19-43(37)48/h4-29H,1-3H3
InChIKeyAJXFBDXPBQPXGX-UHFFFAOYSA-N
XLogP11.36
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.87
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(benzenesulfonyl)-3-bromo-2-methylpyridine;2,7-dibromo-9,9-dimethyl-10H-acridine;2,7-dibromo-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine;2,7-di(carbazol-9-yl)-9,9-dimethyl-10H-acridine;2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine
CID 159501180
3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]-9-[9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25209134
9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
CID 86066589
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine
CID 140928513
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine
CID 137469791
3-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole
CID 167052770
9-[4-carbazol-9-yl-2-(4-methylphenyl)phenyl]carbazole
CID 59742176
10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine
CID 140928529
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461

Frequently Asked Questions

What is the IUPAC name of 2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine?
The IUPAC name of 2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine (CID 134237381) is 2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine.
What is the SMILES notation for 2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine?
The canonical SMILES for 2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine is Cc1ccc(S(=O)(=O)N2c3ccc(-n4c5ccccc5c5ccccc54)cc3C(C)(C)c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.
What is the InChIKey of 2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine?
The InChIKey is AJXFBDXPBQPXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N3O2S/c1-30-20-24-33(25-21-30)52(50,51)49-44-26-22-31(47-40-16-8-4-12-34(40)35-13-5-9-17-41(35)47)28-38(44)46(2,3)39-29-32(23-27-45(39)49)48-42-18-10-6-14-36(42)37-15-7-11-19-43(37)48/h4-29H,1-3H3.
What are the key properties of 2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine?
2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine has a molecular weight of 693.87 g/mol, XLogP of 11.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine is sourced from PubChem (CID 134237381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).