7-(benzenesulfonyl)-5,6-bis(2,7-diphenylspiro[acridine-9,9'-xanthene]-10-yl)-1,1,3,3-tetramethyl-2-benzofuran-4-carbonitrile

C93H65N3O5S — CID 122607563

IUPAC7-(benzenesulfonyl)-5,6-bis(2,7-diphenylspiro[acridine-9,9'-xanthene]-10-yl)-1,1,3,3-tetramethyl-2-benzofuran-4-carbonitrile
SMILESCC1(C)OC(C)(C)c2c1c(C#N)c(N1c3ccc(-c4ccccc4)cc3C3(c4ccccc4Oc4ccccc43)c3cc(-c4ccccc4)ccc31)c(N1c3ccc(-c4ccccc4)cc3C3(c4ccccc4Oc4ccccc43)c3cc(-c4ccccc4)ccc31)c2S(=O)(=O)c1ccccc1
InChIInChI=1S/C93H65N3O5S/c1-90(2)85-68(58-94)87(95-77-50-46-63(59-28-10-5-11-29-59)54-73(77)92(74-55-64(47-51-78(74)95)60-30-12-6-13-31-60)69-38-20-24-42-81(69)99-82-43-25-21-39-70(82)92)88(89(86(85)91(3,4)101-90)102(97,98)67-36-18-9-19-37-67)96-79-52-48-65(61-32-14-7-15-33-61)56-75(79)93(76-57-66(49-53-80(76)96)62-34-16-8-17-35-62)71-40-22-26-44-83(71)100-84-45-27-23-41-72(84)93/h5-57H,1-4H3
InChIKeyAKBWGPDWPBOSIN-UHFFFAOYSA-N
MW1336.63 g/mol
LogP23.10
Rot. Bonds8

About 7-(benzenesulfonyl)-5,6-bis(2,7-diphenylspiro[acridine-9,9'-xanthene]-10-yl)-1,1,3,3-tetramethyl-2-benzofuran-4-carbonitrile

7-(benzenesulfonyl)-5,6-bis(2,7-diphenylspiro[acridine-9,9'-xanthene]-10-yl)-1,1,3,3-tetramethyl-2-benzofuran-4-carbonitrile (PubChem CID 122607563) has the molecular formula C93H65N3O5S and a molecular weight of 1336.63 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-5,6-bis(2,7-diphenylspiro[acridine-9,9'-xanthene]-10-yl)-1,1,3,3-tetramethyl-2-benzofuran-4-carbonitrile.

Molecular Properties

Compound Name7-(benzenesulfonyl)-5,6-bis(2,7-diphenylspiro[acridine-9,9'-xanthene]-10-yl)-1,1,3,3-tetramethyl-2-benzofuran-4-carbonitrile
PubChem CID122607563
Molecular FormulaC93H65N3O5S
Molecular Weight1336.63 g/mol
Exact Mass1335.46
IUPAC Name7-(benzenesulfonyl)-5,6-bis(2,7-diphenylspiro[acridine-9,9'-xanthene]-10-yl)-1,1,3,3-tetramethyl-2-benzofuran-4-carbonitrile
SMILESCC1(C)OC(C)(C)c2c1c(C#N)c(N1c3ccc(-c4ccccc4)cc3C3(c4ccccc4Oc4ccccc43)c3cc(-c4ccccc4)ccc31)c(N1c3ccc(-c4ccccc4)cc3C3(c4ccccc4Oc4ccccc43)c3cc(-c4ccccc4)ccc31)c2S(=O)(=O)c1ccccc1
InChIInChI=1S/C93H65N3O5S/c1-90(2)85-68(58-94)87(95-77-50-46-63(59-28-10-5-11-29-59)54-73(77)92(74-55-64(47-51-78(74)95)60-30-12-6-13-31-60)69-38-20-24-42-81(69)99-82-43-25-21-39-70(82)92)88(89(86(85)91(3,4)101-90)102(97,98)67-36-18-9-19-37-67)96-79-52-48-65(61-32-14-7-15-33-61)56-75(79)93(76-57-66(49-53-80(76)96)62-34-16-8-17-35-62)71-40-22-26-44-83(71)100-84-45-27-23-41-72(84)93/h5-57H,1-4H3
InChIKeyAKBWGPDWPBOSIN-UHFFFAOYSA-N
XLogP23.10
TPSA92.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001336.63
LogP ≤ 523.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(benzenesulfonyl)-5,6-bis(2,7-diphenylspiro[acridine-9,9'-xanthene]-10-yl)-1,1,3,3-tetramethyl-2-benzofuran-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(benzenesulfonyl)-5-(2,7-diphenylspiro[acridine-9,9'-xanthene]-10-yl)-6-isocyano-1,1,3,3-tetramethyl-2-benzofuran-4-carbonitrile
CID 140745658
1-(benzenesulfonyl)-5,5a-bis(2,7-diphenylspiro[acridine-9,9'-xanthene]-10-yl)-1,3,3-trimethyl-6,6a-dihydrocyclopropa[e][2]benzofuran-4-carbonitrile
CID 123505478
5,6,7-tris(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile
CID 122607612
6,7-bis(3,7-diphenylphenoxazin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4,5-dicarbonitrile
CID 122609903
6,7-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5-dicarbonitrile
CID 122609902
5,7-bis(3,7-diphenylphenoxazin-10-yl)-6-fluoro-1,1,2,3,3-pentamethylisoindole-4-carbonitrile
CID 122609789
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
5-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-5-phenylphenyl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 134552129
4,6-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-7-isocyano-2,2-dimethylindene-5-carbonitrile
CID 140745744
10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine
CID 118698598
1,1,3,3-tetramethyl-5,6-bis(6-phenylpyrido[3,4-b]indol-9-yl)-2-benzofuran-4,7-dicarbonitrile
CID 122607642

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-5,6-bis(2,7-diphenylspiro[acridine-9,9'-xanthene]-10-yl)-1,1,3,3-tetramethyl-2-benzofuran-4-carbonitrile?
The IUPAC name of 7-(benzenesulfonyl)-5,6-bis(2,7-diphenylspiro[acridine-9,9'-xanthene]-10-yl)-1,1,3,3-tetramethyl-2-benzofuran-4-carbonitrile (CID 122607563) is 7-(benzenesulfonyl)-5,6-bis(2,7-diphenylspiro[acridine-9,9'-xanthene]-10-yl)-1,1,3,3-tetramethyl-2-benzofuran-4-carbonitrile.
What is the SMILES notation for 7-(benzenesulfonyl)-5,6-bis(2,7-diphenylspiro[acridine-9,9'-xanthene]-10-yl)-1,1,3,3-tetramethyl-2-benzofuran-4-carbonitrile?
The canonical SMILES for 7-(benzenesulfonyl)-5,6-bis(2,7-diphenylspiro[acridine-9,9'-xanthene]-10-yl)-1,1,3,3-tetramethyl-2-benzofuran-4-carbonitrile is CC1(C)OC(C)(C)c2c1c(C#N)c(N1c3ccc(-c4ccccc4)cc3C3(c4ccccc4Oc4ccccc43)c3cc(-c4ccccc4)ccc31)c(N1c3ccc(-c4ccccc4)cc3C3(c4ccccc4Oc4ccccc43)c3cc(-c4ccccc4)ccc31)c2S(=O)(=O)c1ccccc1.
What is the InChIKey of 7-(benzenesulfonyl)-5,6-bis(2,7-diphenylspiro[acridine-9,9'-xanthene]-10-yl)-1,1,3,3-tetramethyl-2-benzofuran-4-carbonitrile?
The InChIKey is AKBWGPDWPBOSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H65N3O5S/c1-90(2)85-68(58-94)87(95-77-50-46-63(59-28-10-5-11-29-59)54-73(77)92(74-55-64(47-51-78(74)95)60-30-12-6-13-31-60)69-38-20-24-42-81(69)99-82-43-25-21-39-70(82)92)88(89(86(85)91(3,4)101-90)102(97,98)67-36-18-9-19-37-67)96-79-52-48-65(61-32-14-7-15-33-61)56-75(79)93(76-57-66(49-53-80(76)96)62-34-16-8-17-35-62)71-40-22-26-44-83(71)100-84-45-27-23-41-72(84)93/h5-57H,1-4H3.
What are the key properties of 7-(benzenesulfonyl)-5,6-bis(2,7-diphenylspiro[acridine-9,9'-xanthene]-10-yl)-1,1,3,3-tetramethyl-2-benzofuran-4-carbonitrile?
7-(benzenesulfonyl)-5,6-bis(2,7-diphenylspiro[acridine-9,9'-xanthene]-10-yl)-1,1,3,3-tetramethyl-2-benzofuran-4-carbonitrile has a molecular weight of 1336.63 g/mol, XLogP of 23.10, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-5,6-bis(2,7-diphenylspiro[acridine-9,9'-xanthene]-10-yl)-1,1,3,3-tetramethyl-2-benzofuran-4-carbonitrile is sourced from PubChem (CID 122607563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).