9-[4-[4-(9,9-dimethylfluoren-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole

C60H40N4S — CID 162780666

IUPAC9-[4-[4-(9,9-dimethylfluoren-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)-c3ccccc3C4(C)C)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccc(-c5cccc(-c6ccccc6)c5)cc34)n2)c([2H])c1[2H]
InChIInChI=1S/C60H40N4S/c1-60(2)51-25-12-9-22-44(51)47-34-42(28-30-52(47)60)58-61-57(38-18-7-4-8-19-38)62-59(63-58)50-36-43(64-53-26-13-10-23-45(53)46-24-11-14-27-54(46)64)35-49-48-33-41(29-31-55(48)65-56(49)50)40-21-15-20-39(32-40)37-16-5-3-6-17-37/h3-36H,1-2H3/i4D,7D,8D,18D,19D
InChIKeyHFAMNMYAVHFPPB-QROKJQNDSA-N
MW854.11 g/mol
LogP15.98
Rot. Bonds6

About 9-[4-[4-(9,9-dimethylfluoren-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole

9-[4-[4-(9,9-dimethylfluoren-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole (PubChem CID 162780666) has the molecular formula C60H40N4S and a molecular weight of 854.11 g/mol. Its IUPAC name is 9-[4-[4-(9,9-dimethylfluoren-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(9,9-dimethylfluoren-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole
PubChem CID162780666
Molecular FormulaC60H40N4S
Molecular Weight854.11 g/mol
Exact Mass853.33
IUPAC Name9-[4-[4-(9,9-dimethylfluoren-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)-c3ccccc3C4(C)C)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccc(-c5cccc(-c6ccccc6)c5)cc34)n2)c([2H])c1[2H]
InChIInChI=1S/C60H40N4S/c1-60(2)51-25-12-9-22-44(51)47-34-42(28-30-52(47)60)58-61-57(38-18-7-4-8-19-38)62-59(63-58)50-36-43(64-53-26-13-10-23-45(53)46-24-11-14-27-54(46)64)35-49-48-33-41(29-31-55(48)65-56(49)50)40-21-15-20-39(32-40)37-16-5-3-6-17-37/h3-36H,1-2H3/i4D,7D,8D,18D,19D
InChIKeyHFAMNMYAVHFPPB-QROKJQNDSA-N
XLogP15.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.11
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[4-[4-(9,9-dimethylfluoren-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole with MolForge

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Related Compounds

9-[4-[4-(9,9-dimethylfluoren-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 162780430
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 162780414
7,7-dimethyl-5-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole
CID 162780764
9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-8-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 162780319
9-[4-(2-carbazol-9-yl-8-phenyldibenzothiophen-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 162780614
9-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole
CID 162780383
5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 134569448
9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole
CID 163501984
9-[4-[4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyldibenzothiophen-2-yl]carbazole
CID 163976267
9-[3-[4-[2-carbazol-9-yl-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780363
5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 160965207
9-[4-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole
CID 163958327

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(9,9-dimethylfluoren-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-[4-[4-(9,9-dimethylfluoren-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole (CID 162780666) is 9-[4-[4-(9,9-dimethylfluoren-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-[4-[4-(9,9-dimethylfluoren-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-[4-[4-(9,9-dimethylfluoren-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)-c3ccccc3C4(C)C)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccc(-c5cccc(-c6ccccc6)c5)cc34)n2)c([2H])c1[2H].
What is the InChIKey of 9-[4-[4-(9,9-dimethylfluoren-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole?
The InChIKey is HFAMNMYAVHFPPB-QROKJQNDSA-N. The full InChI is InChI=1S/C60H40N4S/c1-60(2)51-25-12-9-22-44(51)47-34-42(28-30-52(47)60)58-61-57(38-18-7-4-8-19-38)62-59(63-58)50-36-43(64-53-26-13-10-23-45(53)46-24-11-14-27-54(46)64)35-49-48-33-41(29-31-55(48)65-56(49)50)40-21-15-20-39(32-40)37-16-5-3-6-17-37/h3-36H,1-2H3/i4D,7D,8D,18D,19D.
What are the key properties of 9-[4-[4-(9,9-dimethylfluoren-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole?
9-[4-[4-(9,9-dimethylfluoren-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole has a molecular weight of 854.11 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(9,9-dimethylfluoren-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 162780666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).