CID 160759582

C274H228Al12N12O22Si2 — CID 160759582

IUPAC—
SMILESCc1cc(C)cc(O[Al]Oc2cccc3ccc(C)nc23)c1.Cc1ccc(O[Al]Oc2cccc3ccc(C)nc23)cc1.Cc1ccc2cccc(O[Al])c2n1.Cc1ccc2cccc(O[Al])c2n1.Cc1ccc2cccc(O[Al]Oc3c(-c4ccccc4)cccc3-c3ccccc3)c2n1.Cc1ccc2cccc(O[Al]Oc3c(C)c(C)cc(C)c3C)c2n1.Cc1ccc2cccc(O[Al]Oc3c(C)cccc3C)c2n1.Cc1ccc2cccc(O[Al]Oc3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c2n1.Cc1ccc2cccc(O[Al]Oc3ccc(C)c(C)c3)c2n1.Cc1ccc2cccc(O[Al]Oc3ccc4ccccc4c3)c2n1.Cc1ccc2cccc(O[Al]Oc3cccc4ccccc34)c2n1.Cc1ccc2cccc(O[Al]Oc3ccccc3)c2n1.c1ccc([Si](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([Si](c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H19Si.C22H17Si.C21H18O.C18H14O.12C10H9NO.2C10H8O.C10H14O.3C8H10O.C7H8O.C6H6O.12Al/c1-2-14-22(15-3-1)27(25-18-8-12-20-10-4-6-16-23(20)25)26-19-9-13-21-11-5-7-17-24(21)26;1-3-11-20(12-4-1)23(21-13-5-2-6-14-21)22-16-15-18-9-7-8-10-19(18)17-22;1-21(2)19-6-4-3-5-17(19)18-12-9-15(13-20(18)21)14-7-10-16(22)11-8-14;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;12*1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-10-7-3-5-8-4-1-2-6-9(8)10;11-10-6-5-8-3-1-2-4-9(8)7-10;1-6-5-7(2)9(4)10(11)8(6)3;1-6-3-7(2)5-8(9)4-6;1-6-3-4-8(9)5-7(6)2;1-6-4-3-5-7(2)8(6)9;1-6-2-4-7(8)5-3-6;7-6-4-2-1-3-5-6;;;;;;;;;;;;/h1-19H;1-17H;3-13,22H,1-2H3;1-13,19H;12*2-6,12H,1H3;2*1-7,11H;5,11H,1-4H3;3*3-5,9H,1-2H3;2-5,8H,1H3;1-5,7H;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;2*+1;10*+2/p-22
InChIKeyRXWOQNCYNJRIIL-UHFFFAOYSA-A
MW4420.86 g/mol
LogP60.23
Rot. Bonds51

About CID 160759582

CID 160759582 (PubChem CID 160759582) has the molecular formula C274H228Al12N12O22Si2 and a molecular weight of 4420.86 g/mol.

Molecular Properties

Compound NameCID 160759582
PubChem CID160759582
Molecular FormulaC274H228Al12N12O22Si2
Molecular Weight4420.86 g/mol
Exact Mass4417.44
IUPAC Name—
SMILESCc1cc(C)cc(O[Al]Oc2cccc3ccc(C)nc23)c1.Cc1ccc(O[Al]Oc2cccc3ccc(C)nc23)cc1.Cc1ccc2cccc(O[Al])c2n1.Cc1ccc2cccc(O[Al])c2n1.Cc1ccc2cccc(O[Al]Oc3c(-c4ccccc4)cccc3-c3ccccc3)c2n1.Cc1ccc2cccc(O[Al]Oc3c(C)c(C)cc(C)c3C)c2n1.Cc1ccc2cccc(O[Al]Oc3c(C)cccc3C)c2n1.Cc1ccc2cccc(O[Al]Oc3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c2n1.Cc1ccc2cccc(O[Al]Oc3ccc(C)c(C)c3)c2n1.Cc1ccc2cccc(O[Al]Oc3ccc4ccccc4c3)c2n1.Cc1ccc2cccc(O[Al]Oc3cccc4ccccc34)c2n1.Cc1ccc2cccc(O[Al]Oc3ccccc3)c2n1.c1ccc([Si](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([Si](c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H19Si.C22H17Si.C21H18O.C18H14O.12C10H9NO.2C10H8O.C10H14O.3C8H10O.C7H8O.C6H6O.12Al/c1-2-14-22(15-3-1)27(25-18-8-12-20-10-4-6-16-23(20)25)26-19-9-13-21-11-5-7-17-24(21)26;1-3-11-20(12-4-1)23(21-13-5-2-6-14-21)22-16-15-18-9-7-8-10-19(18)17-22;1-21(2)19-6-4-3-5-17(19)18-12-9-15(13-20(18)21)14-7-10-16(22)11-8-14;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;12*1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-10-7-3-5-8-4-1-2-6-9(8)10;11-10-6-5-8-3-1-2-4-9(8)7-10;1-6-5-7(2)9(4)10(11)8(6)3;1-6-3-7(2)5-8(9)4-6;1-6-3-4-8(9)5-7(6)2;1-6-4-3-5-7(2)8(6)9;1-6-2-4-7(8)5-3-6;7-6-4-2-1-3-5-6;;;;;;;;;;;;/h1-19H;1-17H;3-13,22H,1-2H3;1-13,19H;12*2-6,12H,1H3;2*1-7,11H;5,11H,1-4H3;3*3-5,9H,1-2H3;2-5,8H,1H3;1-5,7H;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;2*+1;10*+2/p-22
InChIKeyRXWOQNCYNJRIIL-UHFFFAOYSA-A
XLogP60.23
TPSA357.74 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds51
Heavy Atoms322
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004420.86
LogP ≤ 560.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

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Related Compounds

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5-(9,9-dimethylfluoren-2-yl)oxy-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,4-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,5-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(4-methylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;10-naphthalen-1-yl-5-naphthalen-1-yloxybenzo[g]isoquinoline;10-naphthalen-1-yl-5-(4-phenylphenoxy)benzo[g]isoquinoline
CID 157230517
1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 162103415
3-methylfluoranthene;1-methylnaphthalene;1-methyl-4-phenylbenzene;1-methylpyrene;naphthalene;toluene;2,9,9-trimethylfluorene
CID 167628771
CID 21351067
CID 21351067
CID 158203348
CID 158203348
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-(2-phenylphenyl)anthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-(2-phenylphenyl)anthracene;9-(4-naphthalen-2-yloxyphenyl)-10-(2-phenylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 157493414
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 158744831
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813
2-methyl-9-[4-(9-methyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-(4-methylnaphthalen-1-yl)-9-[3-[9-(5-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-(4-methylphenyl)-9-[4-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-naphthalen-1-yl-9-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-phenyl-9-[4-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 160750214
9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-[4-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-2-yl-10-[4-(4-phenylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene;9-naphthalen-2-yl-10-[3-(3-phenylphenyl)phenyl]anthracene;9-naphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene;9-naphthalen-2-yl-10-[4-(3-phenylphenyl)phenyl]anthracene;9-naphthalen-2-yl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 162074217

Frequently Asked Questions

What is the IUPAC name of CID 160759582?
The IUPAC name of CID 160759582 (CID 160759582) is not available.
What is the SMILES notation for CID 160759582?
The canonical SMILES for CID 160759582 is Cc1cc(C)cc(O[Al]Oc2cccc3ccc(C)nc23)c1.Cc1ccc(O[Al]Oc2cccc3ccc(C)nc23)cc1.Cc1ccc2cccc(O[Al])c2n1.Cc1ccc2cccc(O[Al])c2n1.Cc1ccc2cccc(O[Al]Oc3c(-c4ccccc4)cccc3-c3ccccc3)c2n1.Cc1ccc2cccc(O[Al]Oc3c(C)c(C)cc(C)c3C)c2n1.Cc1ccc2cccc(O[Al]Oc3c(C)cccc3C)c2n1.Cc1ccc2cccc(O[Al]Oc3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c2n1.Cc1ccc2cccc(O[Al]Oc3ccc(C)c(C)c3)c2n1.Cc1ccc2cccc(O[Al]Oc3ccc4ccccc4c3)c2n1.Cc1ccc2cccc(O[Al]Oc3cccc4ccccc34)c2n1.Cc1ccc2cccc(O[Al]Oc3ccccc3)c2n1.c1ccc([Si](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([Si](c2ccccc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of CID 160759582?
The InChIKey is RXWOQNCYNJRIIL-UHFFFAOYSA-A. The full InChI is InChI=1S/C26H19Si.C22H17Si.C21H18O.C18H14O.12C10H9NO.2C10H8O.C10H14O.3C8H10O.C7H8O.C6H6O.12Al/c1-2-14-22(15-3-1)27(25-18-8-12-20-10-4-6-16-23(20)25)26-19-9-13-21-11-5-7-17-24(21)26;1-3-11-20(12-4-1)23(21-13-5-2-6-14-21)22-16-15-18-9-7-8-10-19(18)17-22;1-21(2)19-6-4-3-5-17(19)18-12-9-15(13-20(18)21)14-7-10-16(22)11-8-14;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;12*1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-10-7-3-5-8-4-1-2-6-9(8)10;11-10-6-5-8-3-1-2-4-9(8)7-10;1-6-5-7(2)9(4)10(11)8(6)3;1-6-3-7(2)5-8(9)4-6;1-6-3-4-8(9)5-7(6)2;1-6-4-3-5-7(2)8(6)9;1-6-2-4-7(8)5-3-6;7-6-4-2-1-3-5-6;;;;;;;;;;;;/h1-19H;1-17H;3-13,22H,1-2H3;1-13,19H;12*2-6,12H,1H3;2*1-7,11H;5,11H,1-4H3;3*3-5,9H,1-2H3;2-5,8H,1H3;1-5,7H;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;2*+1;10*+2/p-22.
What are the key properties of CID 160759582?
CID 160759582 has a molecular weight of 4420.86 g/mol, XLogP of 60.23, 51 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160759582 is sourced from PubChem (CID 160759582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).