3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

C54H36N4O — CID 140907299

IUPAC3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1cc(-c2ccc4c(c2)c2ccccc2n4-c2nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n2)ccc13
InChIInChI=1S/C54H36N4O/c1-54(2)45-19-11-9-17-39(45)42-31-44-41-27-25-38(30-49(41)59-50(44)32-46(42)54)37-26-28-48-43(29-37)40-18-10-12-20-47(40)58(48)53-56-51(35-15-7-4-8-16-35)55-52(57-53)36-23-21-34(22-24-36)33-13-5-3-6-14-33/h3-32H,1-2H3
InChIKeyOXANXOILLGBTNV-UHFFFAOYSA-N
MW756.91 g/mol
LogP13.84
Rot. Bonds5

About 3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 140907299) has the molecular formula C54H36N4O and a molecular weight of 756.91 g/mol. Its IUPAC name is 3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID140907299
Molecular FormulaC54H36N4O
Molecular Weight756.91 g/mol
Exact Mass756.29
IUPAC Name3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1cc(-c2ccc4c(c2)c2ccccc2n4-c2nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n2)ccc13
InChIInChI=1S/C54H36N4O/c1-54(2)45-19-11-9-17-39(45)42-31-44-41-27-25-38(30-49(41)59-50(44)32-46(42)54)37-26-28-48-43(29-37)40-18-10-12-20-47(40)58(48)53-56-51(35-15-7-4-8-16-35)55-52(57-53)36-23-21-34(22-24-36)33-13-5-3-6-14-33/h3-32H,1-2H3
InChIKeyOXANXOILLGBTNV-UHFFFAOYSA-N
XLogP13.84
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.91
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014138
3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole
CID 170080771
5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 159343293
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-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 87159836
7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 158509245
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4-phenyl-6-pyrimidin-2-yl-1,3,5-triazine
CID 158622939
11,11-dimethyl-5-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 169014548
2-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 159355535
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223673
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218029

Frequently Asked Questions

What is the IUPAC name of 3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 140907299) is 3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)oc1cc(-c2ccc4c(c2)c2ccccc2n4-c2nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n2)ccc13.
What is the InChIKey of 3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is OXANXOILLGBTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4O/c1-54(2)45-19-11-9-17-39(45)42-31-44-41-27-25-38(30-49(41)59-50(44)32-46(42)54)37-26-28-48-43(29-37)40-18-10-12-20-47(40)58(48)53-56-51(35-15-7-4-8-16-35)55-52(57-53)36-23-21-34(22-24-36)33-13-5-3-6-14-33/h3-32H,1-2H3.
What are the key properties of 3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 756.91 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 140907299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).