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

C118H81N11O3 — CID 158622939

IUPAC2-[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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1cc(-c2ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc2)ccc13.CC1(C)c2ccccc2-c2cc3c(cc21)oc1cc(-c2nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n2)ccc13.CC1(C)c2ccccc2-c2cc3c(cc21)oc1cc(-c2nc(-c4ccccc4)nc(-c4ncccn4)n2)ccc13
InChIInChI=1S/2C42H29N3O.C34H23N5O/c1-42(2)35-19-10-9-18-31(35)33-24-34-32-21-20-30(23-37(32)46-38(34)25-36(33)42)41-44-39(27-14-7-4-8-15-27)43-40(45-41)29-17-11-16-28(22-29)26-12-5-3-6-13-26;1-42(2)35-16-10-9-15-31(35)33-24-34-32-22-21-30(23-37(32)46-38(34)25-36(33)42)26-17-19-29(20-18-26)41-44-39(27-11-5-3-6-12-27)43-40(45-41)28-13-7-4-8-14-28;1-34(2)26-12-7-6-11-22(26)24-18-25-23-14-13-21(17-28(23)40-29(25)19-27(24)34)31-37-30(20-9-4-3-5-10-20)38-33(39-31)32-35-15-8-16-36-32/h2*3-25H,1-2H3;3-19H,1-2H3
InChIKeyHYFPSYATAJYYNU-UHFFFAOYSA-N
MW1701.02 g/mol
LogP29.36
Rot. Bonds11

About 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

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 (PubChem CID 158622939) has the molecular formula C118H81N11O3 and a molecular weight of 1701.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158622939
Molecular FormulaC118H81N11O3
Molecular Weight1701.02 g/mol
Exact Mass1699.65
IUPAC Name2-[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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1cc(-c2ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc2)ccc13.CC1(C)c2ccccc2-c2cc3c(cc21)oc1cc(-c2nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n2)ccc13.CC1(C)c2ccccc2-c2cc3c(cc21)oc1cc(-c2nc(-c4ccccc4)nc(-c4ncccn4)n2)ccc13
InChIInChI=1S/2C42H29N3O.C34H23N5O/c1-42(2)35-19-10-9-18-31(35)33-24-34-32-21-20-30(23-37(32)46-38(34)25-36(33)42)41-44-39(27-14-7-4-8-15-27)43-40(45-41)29-17-11-16-28(22-29)26-12-5-3-6-13-26;1-42(2)35-16-10-9-15-31(35)33-24-34-32-22-21-30(23-37(32)46-38(34)25-36(33)42)26-17-19-29(20-18-26)41-44-39(27-11-5-3-6-12-27)43-40(45-41)28-13-7-4-8-14-28;1-34(2)26-12-7-6-11-22(26)24-18-25-23-14-13-21(17-28(23)40-29(25)19-27(24)34)31-37-30(20-9-4-3-5-10-20)38-33(39-31)32-35-15-8-16-36-32/h2*3-25H,1-2H3;3-19H,1-2H3
InChIKeyHYFPSYATAJYYNU-UHFFFAOYSA-N
XLogP29.36
TPSA181.21 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001701.02
LogP ≤ 529.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218029
2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 130233115
4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 140907280
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-4,6-dipyridin-2-yl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 160935015
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
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218012
2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 140907263
2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 130232482
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 140907327
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159465808
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
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140907356

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc3c(cc21)oc1cc(-c2ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc2)ccc13.CC1(C)c2ccccc2-c2cc3c(cc21)oc1cc(-c2nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n2)ccc13.CC1(C)c2ccccc2-c2cc3c(cc21)oc1cc(-c2nc(-c4ccccc4)nc(-c4ncccn4)n2)ccc13.
What is the InChIKey of 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?
The InChIKey is HYFPSYATAJYYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H29N3O.C34H23N5O/c1-42(2)35-19-10-9-18-31(35)33-24-34-32-21-20-30(23-37(32)46-38(34)25-36(33)42)41-44-39(27-14-7-4-8-15-27)43-40(45-41)29-17-11-16-28(22-29)26-12-5-3-6-13-26;1-42(2)35-16-10-9-15-31(35)33-24-34-32-22-21-30(23-37(32)46-38(34)25-36(33)42)26-17-19-29(20-18-26)41-44-39(27-11-5-3-6-12-27)43-40(45-41)28-13-7-4-8-14-28;1-34(2)26-12-7-6-11-22(26)24-18-25-23-14-13-21(17-28(23)40-29(25)19-27(24)34)31-37-30(20-9-4-3-5-10-20)38-33(39-31)32-35-15-8-16-36-32/h2*3-25H,1-2H3;3-19H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1701.02 g/mol, XLogP of 29.36, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158622939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).