2,7-bis(9,9-dimethylfluoren-2-yl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane;2,7-bis(3-phenylphenyl)thioxanthen-9-one;bis(9,9'-spirobi[fluorene]-2-yl)methanone;10,10-dimethyl-2-(3-phenylphenyl)-6-[(3-phenylphenyl)methyl]anthracen-9-one;hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4,7,9,12,14(18),16-octaene

C273H189AlN2O10S — CID 157065249

IUPAC2,7-bis(9,9-dimethylfluoren-2-yl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane;2,7-bis(3-phenylphenyl)thioxanthen-9-one;bis(9,9'-spirobi[fluorene]-2-yl)methanone;10,10-dimethyl-2-(3-phenylphenyl)-6-[(3-phenylphenyl)methyl]anthracen-9-one;hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4,7,9,12,14(18),16-octaene
SMILESC1=C2CC=c3ccc4c5c3=C2C2C(=C1)CC=C(CC=4)C=52.CC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2C(=O)c2ccc(Cc3cccc(-c4ccccc4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c(=O)c4c3)cc21.Cc1ccc2cccc(O[Al](Oc3ccc(-c4ccccc4)cc3)Oc3cccc4ccc(C)nc34)c2n1.O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.O=c1c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2oc2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc12.O=c1c2cc(-c3cccc(-c4ccccc4)c3)ccc2sc2ccc(-c3cccc(-c4ccccc4)c3)cc12
InChIInChI=1S/C51H30O.C49H32O2.C43H32O2.C41H32O.C37H24OS.C20H14.C12H10O.2C10H9NO.Al/c52-49(31-25-27-39-37-17-5-11-23-45(37)50(47(39)29-31)41-19-7-1-13-33(41)34-14-2-8-20-42(34)50)32-26-28-40-38-18-6-12-24-46(38)51(48(40)30-32)43-21-9-3-15-35(43)36-16-4-10-22-44(36)51;50-49-45-31-37(43-27-39(33-13-5-1-6-14-33)25-40(28-43)34-15-7-2-8-16-34)21-23-47(45)51-48-24-22-38(32-46(48)49)44-29-41(35-17-9-3-10-18-35)26-42(30-44)36-19-11-4-12-20-36;1-42(2)35-11-7-5-9-29(35)31-17-13-27(23-37(31)42)25-15-19-39-33(21-25)41(44)34-22-26(16-20-40(34)45-39)28-14-18-32-30-10-6-8-12-36(30)43(3,4)38(32)24-28;1-41(2)38-22-20-35(34-18-10-17-33(26-34)31-14-7-4-8-15-31)27-37(38)40(42)36-21-19-29(25-39(36)41)23-28-11-9-16-32(24-28)30-12-5-3-6-13-30;38-37-33-23-31(29-15-7-13-27(21-29)25-9-3-1-4-10-25)17-19-35(33)39-36-20-18-32(24-34(36)37)30-16-8-14-28(22-30)26-11-5-2-6-12-26;1-2-12-5-6-14-9-10-15-8-7-13-4-3-11(1)16-17(12)19(14)20(15)18(13)16;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-30H;1-32H;5-24H,1-4H3;3-22,24-27H,23H2,1-2H3;1-24H;1-3,5,7-9,20H,4,6,10H2;1-9,13H;2*2-6,12H,1H3;/q;;;;;;;;;+3/p-3
InChIKeyABULRADMSCOBHA-UHFFFAOYSA-K
MW3716.57 g/mol
LogP64.45
Rot. Bonds26

About 2,7-bis(9,9-dimethylfluoren-2-yl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane;2,7-bis(3-phenylphenyl)thioxanthen-9-one;bis(9,9'-spirobi[fluorene]-2-yl)methanone;10,10-dimethyl-2-(3-phenylphenyl)-6-[(3-phenylphenyl)methyl]anthracen-9-one;hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4,7,9,12,14(18),16-octaene

2,7-bis(9,9-dimethylfluoren-2-yl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane;2,7-bis(3-phenylphenyl)thioxanthen-9-one;bis(9,9'-spirobi[fluorene]-2-yl)methanone;10,10-dimethyl-2-(3-phenylphenyl)-6-[(3-phenylphenyl)methyl]anthracen-9-one;hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4,7,9,12,14(18),16-octaene (PubChem CID 157065249) has the molecular formula C273H189AlN2O10S and a molecular weight of 3716.57 g/mol. Its IUPAC name is 2,7-bis(9,9-dimethylfluoren-2-yl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane;2,7-bis(3-phenylphenyl)thioxanthen-9-one;bis(9,9'-spirobi[fluorene]-2-yl)methanone;10,10-dimethyl-2-(3-phenylphenyl)-6-[(3-phenylphenyl)methyl]anthracen-9-one;hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4,7,9,12,14(18),16-octaene.

Molecular Properties

Compound Name2,7-bis(9,9-dimethylfluoren-2-yl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane;2,7-bis(3-phenylphenyl)thioxanthen-9-one;bis(9,9'-spirobi[fluorene]-2-yl)methanone;10,10-dimethyl-2-(3-phenylphenyl)-6-[(3-phenylphenyl)methyl]anthracen-9-one;hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4,7,9,12,14(18),16-octaene
PubChem CID157065249
Molecular FormulaC273H189AlN2O10S
Molecular Weight3716.57 g/mol
Exact Mass3713.39
IUPAC Name2,7-bis(9,9-dimethylfluoren-2-yl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane;2,7-bis(3-phenylphenyl)thioxanthen-9-one;bis(9,9'-spirobi[fluorene]-2-yl)methanone;10,10-dimethyl-2-(3-phenylphenyl)-6-[(3-phenylphenyl)methyl]anthracen-9-one;hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4,7,9,12,14(18),16-octaene
SMILESC1=C2CC=c3ccc4c5c3=C2C2C(=C1)CC=C(CC=4)C=52.CC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2C(=O)c2ccc(Cc3cccc(-c4ccccc4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c(=O)c4c3)cc21.Cc1ccc2cccc(O[Al](Oc3ccc(-c4ccccc4)cc3)Oc3cccc4ccc(C)nc34)c2n1.O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.O=c1c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2oc2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc12.O=c1c2cc(-c3cccc(-c4ccccc4)c3)ccc2sc2ccc(-c3cccc(-c4ccccc4)c3)cc12
InChIInChI=1S/C51H30O.C49H32O2.C43H32O2.C41H32O.C37H24OS.C20H14.C12H10O.2C10H9NO.Al/c52-49(31-25-27-39-37-17-5-11-23-45(37)50(47(39)29-31)41-19-7-1-13-33(41)34-14-2-8-20-42(34)50)32-26-28-40-38-18-6-12-24-46(38)51(48(40)30-32)43-21-9-3-15-35(43)36-16-4-10-22-44(36)51;50-49-45-31-37(43-27-39(33-13-5-1-6-14-33)25-40(28-43)34-15-7-2-8-16-34)21-23-47(45)51-48-24-22-38(32-46(48)49)44-29-41(35-17-9-3-10-18-35)26-42(30-44)36-19-11-4-12-20-36;1-42(2)35-11-7-5-9-29(35)31-17-13-27(23-37(31)42)25-15-19-39-33(21-25)41(44)34-22-26(16-20-40(34)45-39)28-14-18-32-30-10-6-8-12-36(30)43(3,4)38(32)24-28;1-41(2)38-22-20-35(34-18-10-17-33(26-34)31-14-7-4-8-15-31)27-37(38)40(42)36-21-19-29(25-39(36)41)23-28-11-9-16-32(24-28)30-12-5-3-6-13-30;38-37-33-23-31(29-15-7-13-27(21-29)25-9-3-1-4-10-25)17-19-35(33)39-36-20-18-32(24-34(36)37)30-16-8-14-28(22-30)26-11-5-2-6-12-26;1-2-12-5-6-14-9-10-15-8-7-13-4-3-11(1)16-17(12)19(14)20(15)18(13)16;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-30H;1-32H;5-24H,1-4H3;3-22,24-27H,23H2,1-2H3;1-24H;1-3,5,7-9,20H,4,6,10H2;1-9,13H;2*2-6,12H,1H3;/q;;;;;;;;;+3/p-3
InChIKeyABULRADMSCOBHA-UHFFFAOYSA-K
XLogP64.45
TPSA165.10 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds26
Heavy Atoms287
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003716.57
LogP ≤ 564.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2,7-bis(9,9-dimethylfluoren-2-yl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane;2,7-bis(3-phenylphenyl)thioxanthen-9-one;bis(9,9'-spirobi[fluorene]-2-yl)methanone;10,10-dimethyl-2-(3-phenylphenyl)-6-[(3-phenylphenyl)methyl]anthracen-9-one;hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4,7,9,12,14(18),16-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(9,9-dimethylfluoren-2-yl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane;2,7-bis(3-phenylphenyl)thioxanthen-9-one;bis(9,9'-spirobi[fluorene]-2-yl)methanone;10,10-dimethyl-2-(3-phenylphenyl)-6-[(3-phenylphenyl)methyl]anthracen-9-one;hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4,7,9,12,14(18),16-octaene?
The IUPAC name of 2,7-bis(9,9-dimethylfluoren-2-yl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane;2,7-bis(3-phenylphenyl)thioxanthen-9-one;bis(9,9'-spirobi[fluorene]-2-yl)methanone;10,10-dimethyl-2-(3-phenylphenyl)-6-[(3-phenylphenyl)methyl]anthracen-9-one;hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4,7,9,12,14(18),16-octaene (CID 157065249) is 2,7-bis(9,9-dimethylfluoren-2-yl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane;2,7-bis(3-phenylphenyl)thioxanthen-9-one;bis(9,9'-spirobi[fluorene]-2-yl)methanone;10,10-dimethyl-2-(3-phenylphenyl)-6-[(3-phenylphenyl)methyl]anthracen-9-one;hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4,7,9,12,14(18),16-octaene.
What is the SMILES notation for 2,7-bis(9,9-dimethylfluoren-2-yl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane;2,7-bis(3-phenylphenyl)thioxanthen-9-one;bis(9,9'-spirobi[fluorene]-2-yl)methanone;10,10-dimethyl-2-(3-phenylphenyl)-6-[(3-phenylphenyl)methyl]anthracen-9-one;hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4,7,9,12,14(18),16-octaene?
The canonical SMILES for 2,7-bis(9,9-dimethylfluoren-2-yl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane;2,7-bis(3-phenylphenyl)thioxanthen-9-one;bis(9,9'-spirobi[fluorene]-2-yl)methanone;10,10-dimethyl-2-(3-phenylphenyl)-6-[(3-phenylphenyl)methyl]anthracen-9-one;hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4,7,9,12,14(18),16-octaene is C1=C2CC=c3ccc4c5c3=C2C2C(=C1)CC=C(CC=4)C=52.CC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2C(=O)c2ccc(Cc3cccc(-c4ccccc4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c(=O)c4c3)cc21.Cc1ccc2cccc(O[Al](Oc3ccc(-c4ccccc4)cc3)Oc3cccc4ccc(C)nc34)c2n1.O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.O=c1c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2oc2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc12.O=c1c2cc(-c3cccc(-c4ccccc4)c3)ccc2sc2ccc(-c3cccc(-c4ccccc4)c3)cc12.
What is the InChIKey of 2,7-bis(9,9-dimethylfluoren-2-yl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane;2,7-bis(3-phenylphenyl)thioxanthen-9-one;bis(9,9'-spirobi[fluorene]-2-yl)methanone;10,10-dimethyl-2-(3-phenylphenyl)-6-[(3-phenylphenyl)methyl]anthracen-9-one;hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4,7,9,12,14(18),16-octaene?
The InChIKey is ABULRADMSCOBHA-UHFFFAOYSA-K. The full InChI is InChI=1S/C51H30O.C49H32O2.C43H32O2.C41H32O.C37H24OS.C20H14.C12H10O.2C10H9NO.Al/c52-49(31-25-27-39-37-17-5-11-23-45(37)50(47(39)29-31)41-19-7-1-13-33(41)34-14-2-8-20-42(34)50)32-26-28-40-38-18-6-12-24-46(38)51(48(40)30-32)43-21-9-3-15-35(43)36-16-4-10-22-44(36)51;50-49-45-31-37(43-27-39(33-13-5-1-6-14-33)25-40(28-43)34-15-7-2-8-16-34)21-23-47(45)51-48-24-22-38(32-46(48)49)44-29-41(35-17-9-3-10-18-35)26-42(30-44)36-19-11-4-12-20-36;1-42(2)35-11-7-5-9-29(35)31-17-13-27(23-37(31)42)25-15-19-39-33(21-25)41(44)34-22-26(16-20-40(34)45-39)28-14-18-32-30-10-6-8-12-36(30)43(3,4)38(32)24-28;1-41(2)38-22-20-35(34-18-10-17-33(26-34)31-14-7-4-8-15-31)27-37(38)40(42)36-21-19-29(25-39(36)41)23-28-11-9-16-32(24-28)30-12-5-3-6-13-30;38-37-33-23-31(29-15-7-13-27(21-29)25-9-3-1-4-10-25)17-19-35(33)39-36-20-18-32(24-34(36)37)30-16-8-14-28(22-30)26-11-5-2-6-12-26;1-2-12-5-6-14-9-10-15-8-7-13-4-3-11(1)16-17(12)19(14)20(15)18(13)16;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-30H;1-32H;5-24H,1-4H3;3-22,24-27H,23H2,1-2H3;1-24H;1-3,5,7-9,20H,4,6,10H2;1-9,13H;2*2-6,12H,1H3;/q;;;;;;;;;+3/p-3.
What are the key properties of 2,7-bis(9,9-dimethylfluoren-2-yl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane;2,7-bis(3-phenylphenyl)thioxanthen-9-one;bis(9,9'-spirobi[fluorene]-2-yl)methanone;10,10-dimethyl-2-(3-phenylphenyl)-6-[(3-phenylphenyl)methyl]anthracen-9-one;hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4,7,9,12,14(18),16-octaene?
2,7-bis(9,9-dimethylfluoren-2-yl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane;2,7-bis(3-phenylphenyl)thioxanthen-9-one;bis(9,9'-spirobi[fluorene]-2-yl)methanone;10,10-dimethyl-2-(3-phenylphenyl)-6-[(3-phenylphenyl)methyl]anthracen-9-one;hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4,7,9,12,14(18),16-octaene has a molecular weight of 3716.57 g/mol, XLogP of 64.45, 26 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(9,9-dimethylfluoren-2-yl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane;2,7-bis(3-phenylphenyl)thioxanthen-9-one;bis(9,9'-spirobi[fluorene]-2-yl)methanone;10,10-dimethyl-2-(3-phenylphenyl)-6-[(3-phenylphenyl)methyl]anthracen-9-one;hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4,7,9,12,14(18),16-octaene is sourced from PubChem (CID 157065249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).