2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C120H83N9O3 — CID 162170066

IUPAC2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cc3oc4ccccc4c3cc21.CC1(C)c2cc3c(cc2-c2c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cccc21)oc1ccccc13.CC1(C)c2cc3c(cc2-c2c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cccc21)oc1ccccc13
InChIInChI=1S/2C42H29N3O.C36H25N3O/c1-42(2)34-21-12-20-30(38(34)33-25-37-32(24-35(33)42)31-19-9-10-22-36(31)46-37)28-17-11-18-29(23-28)41-44-39(26-13-5-3-6-14-26)43-40(45-41)27-15-7-4-8-16-27;1-42(2)34-18-11-17-30(38(34)33-25-37-32(24-35(33)42)31-16-9-10-19-36(31)46-37)26-20-22-29(23-21-26)41-44-39(27-12-5-3-6-13-27)43-40(45-41)28-14-7-4-8-15-28;1-36(2)29-19-24(17-18-25(29)27-21-32-28(20-30(27)36)26-15-9-10-16-31(26)40-32)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
InChIKeyZNRBAZMKHLIMKT-UHFFFAOYSA-N
MW1699.04 g/mol
LogP30.57
Rot. Bonds11

About 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 162170066) has the molecular formula C120H83N9O3 and a molecular weight of 1699.04 g/mol. Its IUPAC name is 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID162170066
Molecular FormulaC120H83N9O3
Molecular Weight1699.04 g/mol
Exact Mass1697.66
IUPAC Name2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cc3oc4ccccc4c3cc21.CC1(C)c2cc3c(cc2-c2c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cccc21)oc1ccccc13.CC1(C)c2cc3c(cc2-c2c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cccc21)oc1ccccc13
InChIInChI=1S/2C42H29N3O.C36H25N3O/c1-42(2)34-21-12-20-30(38(34)33-25-37-32(24-35(33)42)31-19-9-10-22-36(31)46-37)28-17-11-18-29(23-28)41-44-39(26-13-5-3-6-14-26)43-40(45-41)27-15-7-4-8-16-27;1-42(2)34-18-11-17-30(38(34)33-25-37-32(24-35(33)42)31-16-9-10-19-36(31)46-37)26-20-22-29(23-21-26)41-44-39(27-12-5-3-6-13-27)43-40(45-41)28-14-7-4-8-15-28;1-36(2)29-19-24(17-18-25(29)27-21-32-28(20-30(27)36)26-15-9-10-16-31(26)40-32)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
InChIKeyZNRBAZMKHLIMKT-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-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-2-yl-4-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 163722248
2-[3-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602744
2-dibenzofuran-2-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602383
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218012
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 130232863
2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 130233115
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
4-dibenzofuran-2-yl-6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 176794241
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-dibenzofuran-3-yl-4,6-diphenylpyrimidine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158848714
4-[4-(3-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176793234
4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)phenyl]-2-phenylpyrimidine
CID 176793434

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 162170066) is 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cc3oc4ccccc4c3cc21.CC1(C)c2cc3c(cc2-c2c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cccc21)oc1ccccc13.CC1(C)c2cc3c(cc2-c2c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cccc21)oc1ccccc13.
What is the InChIKey of 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ZNRBAZMKHLIMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H29N3O.C36H25N3O/c1-42(2)34-21-12-20-30(38(34)33-25-37-32(24-35(33)42)31-19-9-10-22-36(31)46-37)28-17-11-18-29(23-28)41-44-39(26-13-5-3-6-14-26)43-40(45-41)27-15-7-4-8-16-27;1-42(2)34-18-11-17-30(38(34)33-25-37-32(24-35(33)42)31-16-9-10-19-36(31)46-37)26-20-22-29(23-21-26)41-44-39(27-12-5-3-6-13-27)43-40(45-41)28-14-7-4-8-15-28;1-36(2)29-19-24(17-18-25(29)27-21-32-28(20-30(27)36)26-15-9-10-16-31(26)40-32)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-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-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-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 162170066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).