5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole

C69H49N5 — CID 155636706

IUPAC5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C
InChIInChI=1S/C69H49N5/c1-68(2)53-30-16-11-25-45(53)49-37-39-58-61(63(49)68)51-28-14-19-33-56(51)73(58)55-32-18-13-27-47(55)48-36-35-44(67-71-65(42-21-7-5-8-22-42)70-66(72-67)43-23-9-6-10-24-43)41-60(48)74-57-34-20-15-29-52(57)62-59(74)40-38-50-46-26-12-17-31-54(46)69(3,4)64(50)62/h5-41H,1-4H3
InChIKeyUJPAJSUTRFOMRL-UHFFFAOYSA-N
MW948.19 g/mol
LogP17.35
Rot. Bonds6

About 5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole

5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole (PubChem CID 155636706) has the molecular formula C69H49N5 and a molecular weight of 948.19 g/mol. Its IUPAC name is 5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
PubChem CID155636706
Molecular FormulaC69H49N5
Molecular Weight948.19 g/mol
Exact Mass947.40
IUPAC Name5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C
InChIInChI=1S/C69H49N5/c1-68(2)53-30-16-11-25-45(53)49-37-39-58-61(63(49)68)51-28-14-19-33-56(51)73(58)55-32-18-13-27-47(55)48-36-35-44(67-71-65(42-21-7-5-8-22-42)70-66(72-67)43-23-9-6-10-24-43)41-60(48)74-57-34-20-15-29-52(57)62-59(74)40-38-50-46-26-12-17-31-54(46)69(3,4)64(50)62/h5-41H,1-4H3
InChIKeyUJPAJSUTRFOMRL-UHFFFAOYSA-N
XLogP17.35
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.19
LogP ≤ 517.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole with MolForge

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Related Compounds

2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 153432313
5-[3-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 156679291
5-[3-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 158120881
3-[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139495884
4-[4-[4-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
CID 170664779
12,12-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-c]carbazole
CID 169014734
5-[2-[4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 138712666
5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[5-(2,6-diphenylpyrimidin-4-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[2-[5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 159927576
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 158543724
5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 160969457
3-[4-[5-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
CID 174169518
5-[3-[2,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 126630735

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole?
The IUPAC name of 5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole (CID 155636706) is 5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole.
What is the SMILES notation for 5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole?
The canonical SMILES for 5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.
What is the InChIKey of 5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole?
The InChIKey is UJPAJSUTRFOMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H49N5/c1-68(2)53-30-16-11-25-45(53)49-37-39-58-61(63(49)68)51-28-14-19-33-56(51)73(58)55-32-18-13-27-47(55)48-36-35-44(67-71-65(42-21-7-5-8-22-42)70-66(72-67)43-23-9-6-10-24-43)41-60(48)74-57-34-20-15-29-52(57)62-59(74)40-38-50-46-26-12-17-31-54(46)69(3,4)64(50)62/h5-41H,1-4H3.
What are the key properties of 5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole?
5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole has a molecular weight of 948.19 g/mol, XLogP of 17.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole is sourced from PubChem (CID 155636706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).