11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole

C119H83N11O — CID 164976984

IUPAC11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc5ccccc5nc4-c4ccccc4)c3c21
InChIInChI=1S/C42H28N4O.C42H30N4.C35H25N3/c1-42(2)33-20-9-6-15-26(33)29-23-24-30-27-16-7-10-21-34(27)46(37(30)36(29)42)41-44-39(25-13-4-3-5-14-25)43-40(45-41)32-19-12-18-31-28-17-8-11-22-35(28)47-38(31)32;1-42(2)35-21-13-12-20-31(35)32-23-24-33-34-26-30(27-14-6-3-7-15-27)22-25-36(34)46(38(33)37(32)42)41-44-39(28-16-8-4-9-17-28)43-40(45-41)29-18-10-5-11-19-29;1-35(2)27-16-8-6-14-23(27)25-20-21-26-24-15-7-11-19-30(24)38(33(26)31(25)35)34-32(22-12-4-3-5-13-22)36-28-17-9-10-18-29(28)37-34/h3-24H,1-2H3;3-26H,1-2H3;3-21H,1-2H3
InChIKeyDXTNHYLVFYQSDV-UHFFFAOYSA-N
MW1683.05 g/mol
LogP29.48
Rot. Bonds9

About 11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole

11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole (PubChem CID 164976984) has the molecular formula C119H83N11O and a molecular weight of 1683.05 g/mol. Its IUPAC name is 11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole.

Molecular Properties

Compound Name11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole
PubChem CID164976984
Molecular FormulaC119H83N11O
Molecular Weight1683.05 g/mol
Exact Mass1681.68
IUPAC Name11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc5ccccc5nc4-c4ccccc4)c3c21
InChIInChI=1S/C42H28N4O.C42H30N4.C35H25N3/c1-42(2)33-20-9-6-15-26(33)29-23-24-30-27-16-7-10-21-34(27)46(37(30)36(29)42)41-44-39(25-13-4-3-5-14-25)43-40(45-41)32-19-12-18-31-28-17-8-11-22-35(28)47-38(31)32;1-42(2)35-21-13-12-20-31(35)32-23-24-33-34-26-30(27-14-6-3-7-15-27)22-25-36(34)46(38(33)37(32)42)41-44-39(28-16-8-4-9-17-28)43-40(45-41)29-18-10-5-11-19-29;1-35(2)27-16-8-6-14-23(27)25-20-21-26-24-15-7-11-19-30(24)38(33(26)31(25)35)34-32(22-12-4-3-5-13-22)36-28-17-9-10-18-29(28)37-34/h3-24H,1-2H3;3-26H,1-2H3;3-21H,1-2H3
InChIKeyDXTNHYLVFYQSDV-UHFFFAOYSA-N
XLogP29.48
TPSA131.05 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms131
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001683.05
LogP ≤ 529.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole?
The IUPAC name of 11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole (CID 164976984) is 11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole.
What is the SMILES notation for 11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole?
The canonical SMILES for 11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc5ccccc5nc4-c4ccccc4)c3c21.
What is the InChIKey of 11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole?
The InChIKey is DXTNHYLVFYQSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4O.C42H30N4.C35H25N3/c1-42(2)33-20-9-6-15-26(33)29-23-24-30-27-16-7-10-21-34(27)46(37(30)36(29)42)41-44-39(25-13-4-3-5-14-25)43-40(45-41)32-19-12-18-31-28-17-8-11-22-35(28)47-38(31)32;1-42(2)35-21-13-12-20-31(35)32-23-24-33-34-26-30(27-14-6-3-7-15-27)22-25-36(34)46(38(33)37(32)42)41-44-39(28-16-8-4-9-17-28)43-40(45-41)29-18-10-5-11-19-29;1-35(2)27-16-8-6-14-23(27)25-20-21-26-24-15-7-11-19-30(24)38(33(26)31(25)35)34-32(22-12-4-3-5-13-22)36-28-17-9-10-18-29(28)37-34/h3-24H,1-2H3;3-26H,1-2H3;3-21H,1-2H3.
What are the key properties of 11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole?
11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole has a molecular weight of 1683.05 g/mol, XLogP of 29.48, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenylquinoxalin-2-yl)indeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-8-phenylindeno[2,1-a]carbazole is sourced from PubChem (CID 164976984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).