2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C120H83N9O3 — CID 157312678

IUPAC2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)ccc13.CC1(C)c2ccccc2-c2cc3c(oc4ccccc43)c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21.CC1(C)c2ccccc2-c2cc3c(oc4ccccc43)c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c21
InChIInChI=1S/2C42H29N3O.C36H25N3O/c1-42(2)34-22-11-9-20-30(34)32-25-33-31-21-10-12-23-35(31)46-38(33)36(37(32)42)28-18-13-19-29(24-28)41-44-39(26-14-5-3-6-15-26)43-40(45-41)27-16-7-4-8-17-27;1-42(2)34-19-11-9-17-30(34)32-25-33-31-18-10-12-20-35(31)46-38(33)36(37(32)42)26-21-23-29(24-22-26)41-44-39(27-13-5-3-6-14-27)43-40(45-41)28-15-7-4-8-16-28;1-36(2)29-16-10-9-15-25(29)27-20-28-26-18-17-24(19-31(26)40-32(28)21-30(27)36)35-38-33(22-11-5-3-6-12-22)37-34(39-35)23-13-7-4-8-14-23/h2*3-25H,1-2H3;3-21H,1-2H3
InChIKeyBDFKXTONKNUGHE-UHFFFAOYSA-N
MW1699.04 g/mol
LogP30.57
Rot. Bonds11

About 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 157312678) has the molecular formula C120H83N9O3 and a molecular weight of 1699.04 g/mol. Its IUPAC name is 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID157312678
Molecular FormulaC120H83N9O3
Molecular Weight1699.04 g/mol
Exact Mass1697.66
IUPAC Name2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)ccc13.CC1(C)c2ccccc2-c2cc3c(oc4ccccc43)c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21.CC1(C)c2ccccc2-c2cc3c(oc4ccccc43)c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c21
InChIInChI=1S/2C42H29N3O.C36H25N3O/c1-42(2)34-22-11-9-20-30(34)32-25-33-31-21-10-12-23-35(31)46-38(33)36(37(32)42)28-18-13-19-29(24-28)41-44-39(26-14-5-3-6-15-26)43-40(45-41)27-16-7-4-8-17-27;1-42(2)34-19-11-9-17-30(34)32-25-33-31-18-10-12-20-35(31)46-38(33)36(37(32)42)26-21-23-29(24-22-26)41-44-39(27-13-5-3-6-14-27)43-40(45-41)28-15-7-4-8-16-28;1-36(2)29-16-10-9-15-25(29)27-20-28-26-18-17-24(19-31(26)40-32(28)21-30(27)36)35-38-33(22-11-5-3-6-12-22)37-34(39-35)23-13-7-4-8-14-23/h2*3-25H,1-2H3;3-21H,1-2H3
InChIKeyBDFKXTONKNUGHE-UHFFFAOYSA-N
XLogP30.57
TPSA155.43 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001699.04
LogP ≤ 530.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 130233115
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-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218029
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218012
4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 140907280
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
2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine
CID 130232493
2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 130232494
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602605
2-dibenzofuran-4-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602477
2-dibenzofuran-3-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602580
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 130232863

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 157312678) is 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2cc3c(cc21)oc1cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)ccc13.CC1(C)c2ccccc2-c2cc3c(oc4ccccc43)c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21.CC1(C)c2ccccc2-c2cc3c(oc4ccccc43)c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c21.
What is the InChIKey of 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is BDFKXTONKNUGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H29N3O.C36H25N3O/c1-42(2)34-22-11-9-20-30(34)32-25-33-31-21-10-12-23-35(31)46-38(33)36(37(32)42)28-18-13-19-29(24-28)41-44-39(26-14-5-3-6-15-26)43-40(45-41)27-16-7-4-8-17-27;1-42(2)34-19-11-9-17-30(34)32-25-33-31-18-10-12-20-35(31)46-38(33)36(37(32)42)26-21-23-29(24-22-26)41-44-39(27-13-5-3-6-14-27)43-40(45-41)28-15-7-4-8-16-28;1-36(2)29-16-10-9-15-25(29)27-20-28-26-18-17-24(19-31(26)40-32(28)21-30(27)36)35-38-33(22-11-5-3-6-12-22)37-34(39-35)23-13-7-4-8-14-23/h2*3-25H,1-2H3;3-21H,1-2H3.
What are the key properties of 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1699.04 g/mol, XLogP of 30.57, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 157312678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).