5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

C48H30N4O2 — CID 130327260

IUPAC5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5cccc6oc7ccccc7c56)nc(-c5cccc6oc7ccccc7c56)n4)c3cc21
InChIInChI=1S/C48H30N4O2/c1-48(2)35-19-7-3-13-27(35)33-25-34-28-14-4-8-20-37(28)52(38(34)26-36(33)48)47-50-45(31-17-11-23-41-43(31)29-15-5-9-21-39(29)53-41)49-46(51-47)32-18-12-24-42-44(32)30-16-6-10-22-40(30)54-42/h3-26H,1-2H3
InChIKeyCUYSKQUHKJJOOF-UHFFFAOYSA-N
MW694.79 g/mol
LogP12.41
Rot. Bonds3

About 5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 130327260) has the molecular formula C48H30N4O2 and a molecular weight of 694.79 g/mol. Its IUPAC name is 5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID130327260
Molecular FormulaC48H30N4O2
Molecular Weight694.79 g/mol
Exact Mass694.24
IUPAC Name5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5cccc6oc7ccccc7c56)nc(-c5cccc6oc7ccccc7c56)n4)c3cc21
InChIInChI=1S/C48H30N4O2/c1-48(2)35-19-7-3-13-27(35)33-25-34-28-14-4-8-20-37(28)52(38(34)26-36(33)48)47-50-45(31-17-11-23-41-43(31)29-15-5-9-21-39(29)53-41)49-46(51-47)32-18-12-24-42-44(32)30-16-6-10-22-40(30)54-42/h3-26H,1-2H3
InChIKeyCUYSKQUHKJJOOF-UHFFFAOYSA-N
XLogP12.41
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.79
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;ethane
CID 145017062
7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 169014370
5-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 166914017
5-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 145017206
11,11-dimethyl-5-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 169014548
11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 130231160
7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146519894
5-[19-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146258962
5-(6-dibenzofuran-1-yl-4-phenyl-2-pyridinyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 130327268
5-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 169014938
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132
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

Frequently Asked Questions

What is the IUPAC name of 5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 130327260) is 5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5cccc6oc7ccccc7c56)nc(-c5cccc6oc7ccccc7c56)n4)c3cc21.
What is the InChIKey of 5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is CUYSKQUHKJJOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4O2/c1-48(2)35-19-7-3-13-27(35)33-25-34-28-14-4-8-20-37(28)52(38(34)26-36(33)48)47-50-45(31-17-11-23-41-43(31)29-15-5-9-21-39(29)53-41)49-46(51-47)32-18-12-24-42-44(32)30-16-6-10-22-40(30)54-42/h3-26H,1-2H3.
What are the key properties of 5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 694.79 g/mol, XLogP of 12.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 130327260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).