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

C72H63NO2S — CID 118081312

IUPAC5,5,8,8-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
SMILESCC1(C)c2ccccc2Oc2c1ccc1c2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccc5c(c3-4)Oc3ccccc3C5(C)C)c3ccc4c(c3)C(C)(C)c3ccc5c(c3-4)Sc3ccccc3C5(C)C)cc2C1(C)C
InChIInChI=1S/C72H63NO2S/c1-67(2)46-19-13-16-22-58(46)74-64-52(67)34-31-49-61(64)43-28-25-40(37-55(43)70(49,7)8)73(41-26-29-44-56(38-41)71(9,10)50-32-35-53-65(62(44)50)75-59-23-17-14-20-47(59)68(53,3)4)42-27-30-45-57(39-42)72(11,12)51-33-36-54-66(63(45)51)76-60-24-18-15-21-48(60)69(54,5)6/h13-39H,1-12H3
InChIKeyMGWUOUBVABJCRR-UHFFFAOYSA-N
MW1006.37 g/mol
LogP19.73
Rot. Bonds3

About 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

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 (PubChem CID 118081312) has the molecular formula C72H63NO2S and a molecular weight of 1006.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,5,8,8-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
PubChem CID118081312
Molecular FormulaC72H63NO2S
Molecular Weight1006.37 g/mol
Exact Mass1005.46
IUPAC Name5,5,8,8-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
SMILESCC1(C)c2ccccc2Oc2c1ccc1c2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccc5c(c3-4)Oc3ccccc3C5(C)C)c3ccc4c(c3)C(C)(C)c3ccc5c(c3-4)Sc3ccccc3C5(C)C)cc2C1(C)C
InChIInChI=1S/C72H63NO2S/c1-67(2)46-19-13-16-22-58(46)74-64-52(67)34-31-49-61(64)43-28-25-40(37-55(43)70(49,7)8)73(41-26-29-44-56(38-41)71(9,10)50-32-35-53-65(62(44)50)75-59-23-17-14-20-47(59)68(53,3)4)42-27-30-45-57(39-42)72(11,12)51-33-36-54-66(63(45)51)76-60-24-18-15-21-48(60)69(54,5)6/h13-39H,1-12H3
InChIKeyMGWUOUBVABJCRR-UHFFFAOYSA-N
XLogP19.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001006.37
LogP ≤ 519.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 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

5,5,8,8-tetramethyl-N-naphthalen-2-yl-N-[4-[(E)-2-phenylethenyl]phenyl]indeno[2,1-c]xanthen-10-amine
CID 118081164
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
5,8,8-trimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]indeno[2,1-c]xanthen-10-amine
CID 118081175
N-(8,8-dimethylindeno[1,2-a]oxanthren-10-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]oxanthren-10-amine
CID 118081342
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
9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine
CID 138582947
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476546
N-(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]phenoxathiin-1-amine
CID 118081275
N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 170179873
N,N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 90272762
N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-thioxanthene]-4-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-xanthene]-2-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 160801103
1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene
CID 118081394

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2Oc2c1ccc1c2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccc5c(c3-4)Oc3ccccc3C5(C)C)c3ccc4c(c3)C(C)(C)c3ccc5c(c3-4)Sc3ccccc3C5(C)C)cc2C1(C)C.
What is the InChIKey of 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?
The InChIKey is MGWUOUBVABJCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H63NO2S/c1-67(2)46-19-13-16-22-58(46)74-64-52(67)34-31-49-61(64)43-28-25-40(37-55(43)70(49,7)8)73(41-26-29-44-56(38-41)71(9,10)50-32-35-53-65(62(44)50)75-59-23-17-14-20-47(59)68(53,3)4)42-27-30-45-57(39-42)72(11,12)51-33-36-54-66(63(45)51)76-60-24-18-15-21-48(60)69(54,5)6/h13-39H,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 1006.37 g/mol, XLogP of 19.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118081312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).