N-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine

C71H55NO3S2Si — CID 123954499

IUPACN-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4cccc5c4Oc4c(ccc6c4-c4ccccc4C6(C)C)[Si]5(C)C)cc3)c3ccc4c(c3)C(C)(C)c3ccc5c(c3-4)Sc3ccccc3S5)ccc2-c2c1ccc1c2Oc2ccccc2O1
InChIInChI=1S/C71H55NO3S2Si/c1-69(2)48-18-10-9-16-45(48)63-50(69)34-37-61-67(63)75-65-44(17-15-23-60(65)78(61,7)8)40-24-26-41(27-25-40)72(42-28-30-46-52(38-42)70(3,4)49-32-35-56-66(62(46)49)74-55-20-12-11-19-54(55)73-56)43-29-31-47-53(39-43)71(5,6)51-33-36-59-68(64(47)51)77-58-22-14-13-21-57(58)76-59/h9-39H,1-8H3
InChIKeyQOMLRXCCRCITOO-UHFFFAOYSA-N
MW1062.45 g/mol
LogP19.18
Rot. Bonds4

About N-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine

N-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine (PubChem CID 123954499) has the molecular formula C71H55NO3S2Si and a molecular weight of 1062.45 g/mol. Its IUPAC name is N-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine.

Molecular Properties

Compound NameN-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine
PubChem CID123954499
Molecular FormulaC71H55NO3S2Si
Molecular Weight1062.45 g/mol
Exact Mass1061.34
IUPAC NameN-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4cccc5c4Oc4c(ccc6c4-c4ccccc4C6(C)C)[Si]5(C)C)cc3)c3ccc4c(c3)C(C)(C)c3ccc5c(c3-4)Sc3ccccc3S5)ccc2-c2c1ccc1c2Oc2ccccc2O1
InChIInChI=1S/C71H55NO3S2Si/c1-69(2)48-18-10-9-16-45(48)63-50(69)34-37-61-67(63)75-65-44(17-15-23-60(65)78(61,7)8)40-24-26-41(27-25-40)72(42-28-30-46-52(38-42)70(3,4)49-32-35-56-66(62(46)49)74-55-20-12-11-19-54(55)73-56)43-29-31-47-53(39-43)71(5,6)51-33-36-59-68(64(47)51)77-58-22-14-13-21-57(58)76-59/h9-39H,1-8H3
InChIKeyQOMLRXCCRCITOO-UHFFFAOYSA-N
XLogP19.18
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001062.45
LogP ≤ 519.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine with MolForge

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Related Compounds

4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline
CID 123864613
1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene
CID 118081394
5,5,8,8-tetramethyl-N-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-10-yl)-N-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-10-yl)indeno[2,1-c]xanthen-10-amine
CID 118081312
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-thianthren-1-ylphenyl)fluoren-2-amine
CID 118134212
11-(8,8-diphenylindeno[1,2-a]thianthren-11-yl)-8,8-dimethylindeno[1,2-a]oxanthrene
CID 118081484
4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline
CID 159730276
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582113
N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)-4-phenylaniline
CID 123521859
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582913
9,9-dimethyl-N-[4-[4-(19-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176597473
N-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4-phenylaniline;N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)-4-phenylaniline;N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-N-(4-phenoxathiin-4-ylphenyl)-4-phenylaniline;N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4-phenyl-N-(4-thianthren-1-ylphenyl)aniline
CID 159509314
4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline
CID 118133987

Frequently Asked Questions

What is the IUPAC name of N-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine?
The IUPAC name of N-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine (CID 123954499) is N-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine.
What is the SMILES notation for N-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine?
The canonical SMILES for N-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine is CC1(C)c2cc(N(c3ccc(-c4cccc5c4Oc4c(ccc6c4-c4ccccc4C6(C)C)[Si]5(C)C)cc3)c3ccc4c(c3)C(C)(C)c3ccc5c(c3-4)Sc3ccccc3S5)ccc2-c2c1ccc1c2Oc2ccccc2O1.
What is the InChIKey of N-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine?
The InChIKey is QOMLRXCCRCITOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H55NO3S2Si/c1-69(2)48-18-10-9-16-45(48)63-50(69)34-37-61-67(63)75-65-44(17-15-23-60(65)78(61,7)8)40-24-26-41(27-25-40)72(42-28-30-46-52(38-42)70(3,4)49-32-35-56-66(62(46)49)74-55-20-12-11-19-54(55)73-56)43-29-31-47-53(39-43)71(5,6)51-33-36-59-68(64(47)51)77-58-22-14-13-21-57(58)76-59/h9-39H,1-8H3.
What are the key properties of N-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine?
N-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine has a molecular weight of 1062.45 g/mol, XLogP of 19.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine is sourced from PubChem (CID 123954499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).