2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole

C66H42N4O2 — CID 168768795

IUPAC2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccc9c(c8)oc8ccccc89)cc7)n6)c5c4c2)ccc1n3-c1ccccc1
InChIInChI=1S/C66H42N4O2/c1-66(2)54-21-11-9-18-46(54)50-38-57-52(37-55(50)66)51-34-42(29-32-56(51)70(57)45-16-7-4-8-17-45)43-30-33-59-53(35-43)62-49(20-13-23-60(62)71-59)65-68-63(40-14-5-3-6-15-40)67-64(69-65)41-26-24-39(25-27-41)44-28-31-48-47-19-10-12-22-58(47)72-61(48)36-44/h3-38H,1-2H3
InChIKeyWPUXLHYJGNKRSB-UHFFFAOYSA-N
MW923.09 g/mol
LogP17.41
Rot. Bonds6

About 2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole

2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole (PubChem CID 168768795) has the molecular formula C66H42N4O2 and a molecular weight of 923.09 g/mol. Its IUPAC name is 2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
PubChem CID168768795
Molecular FormulaC66H42N4O2
Molecular Weight923.09 g/mol
Exact Mass922.33
IUPAC Name2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccc9c(c8)oc8ccccc89)cc7)n6)c5c4c2)ccc1n3-c1ccccc1
InChIInChI=1S/C66H42N4O2/c1-66(2)54-21-11-9-18-46(54)50-38-57-52(37-55(50)66)51-34-42(29-32-56(51)70(57)45-16-7-4-8-17-45)43-30-33-59-53(35-43)62-49(20-13-23-60(62)71-59)65-68-63(40-14-5-3-6-15-40)67-64(69-65)41-26-24-39(25-27-41)44-28-31-48-47-19-10-12-22-58(47)72-61(48)36-44/h3-38H,1-2H3
InChIKeyWPUXLHYJGNKRSB-UHFFFAOYSA-N
XLogP17.41
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.09
LogP ≤ 517.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole with MolForge

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Related Compounds

9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 144955849
11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole
CID 146338085
3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 168768477
5-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 158901349
3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 168768312
3-[9-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768803
3-[9-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767734
9-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223723
9-(3-phenylphenyl)-3-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 168767909
3-[9-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767917
2-dibenzofuran-1-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134218099
3,9-diphenyl-6-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 168768081

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole?
The IUPAC name of 2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole (CID 168768795) is 2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole.
What is the SMILES notation for 2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole?
The canonical SMILES for 2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccc9c(c8)oc8ccccc89)cc7)n6)c5c4c2)ccc1n3-c1ccccc1.
What is the InChIKey of 2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole?
The InChIKey is WPUXLHYJGNKRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N4O2/c1-66(2)54-21-11-9-18-46(54)50-38-57-52(37-55(50)66)51-34-42(29-32-56(51)70(57)45-16-7-4-8-17-45)43-30-33-59-53(35-43)62-49(20-13-23-60(62)71-59)65-68-63(40-14-5-3-6-15-40)67-64(69-65)41-26-24-39(25-27-41)44-28-31-48-47-19-10-12-22-58(47)72-61(48)36-44/h3-38H,1-2H3.
What are the key properties of 2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole?
2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole has a molecular weight of 923.09 g/mol, XLogP of 17.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole is sourced from PubChem (CID 168768795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).