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

C111H76N12O3 — CID 160935015

IUPAC2-(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
SMILESCC1(C)c2ccccc2-c2cc3oc4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc4c3cc21.CC1(C)c2ccccc2-c2cc3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccn6)n5)ccc4c3cc21.CC1(C)c2ccccc2-c2cc3oc4cc(-c5nc(-c6ccccn6)nc(-c6ccccn6)n5)ccc4c3cc21
InChIInChI=1S/C42H29N3O.C35H24N4O.C34H23N5O/c1-42(2)35-16-10-9-15-31(35)33-25-38-34(24-36(33)42)32-22-21-30(23-37(32)46-38)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;1-35(2)27-13-7-6-12-23(27)25-20-31-26(19-28(25)35)24-16-15-22(18-30(24)40-31)33-37-32(21-10-4-3-5-11-21)38-34(39-33)29-14-8-9-17-36-29;1-34(2)25-10-4-3-9-21(25)23-19-30-24(18-26(23)34)22-14-13-20(17-29(22)40-30)31-37-32(27-11-5-7-15-35-27)39-33(38-31)28-12-6-8-16-36-28/h3-25H,1-2H3;3-20H,1-2H3;3-19H,1-2H3
InChIKeySTTMYTWCWQNSBX-UHFFFAOYSA-N
MW1625.91 g/mol
LogP27.09
Rot. Bonds10

About 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

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 (PubChem CID 160935015) has the molecular formula C111H76N12O3 and a molecular weight of 1625.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID160935015
Molecular FormulaC111H76N12O3
Molecular Weight1625.91 g/mol
Exact Mass1624.62
IUPAC Name2-(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
SMILESCC1(C)c2ccccc2-c2cc3oc4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc4c3cc21.CC1(C)c2ccccc2-c2cc3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccn6)n5)ccc4c3cc21.CC1(C)c2ccccc2-c2cc3oc4cc(-c5nc(-c6ccccn6)nc(-c6ccccn6)n5)ccc4c3cc21
InChIInChI=1S/C42H29N3O.C35H24N4O.C34H23N5O/c1-42(2)35-16-10-9-15-31(35)33-25-38-34(24-36(33)42)32-22-21-30(23-37(32)46-38)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;1-35(2)27-13-7-6-12-23(27)25-20-31-26(19-28(25)35)24-16-15-22(18-30(24)40-31)33-37-32(21-10-4-3-5-11-21)38-34(39-33)29-14-8-9-17-36-29;1-34(2)25-10-4-3-9-21(25)23-19-30-24(18-26(23)34)22-14-13-20(17-29(22)40-30)31-37-32(27-11-5-7-15-35-27)39-33(38-31)28-12-6-8-16-36-28/h3-25H,1-2H3;3-20H,1-2H3;3-19H,1-2H3
InChIKeySTTMYTWCWQNSBX-UHFFFAOYSA-N
XLogP27.09
TPSA194.10 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001625.91
LogP ≤ 527.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[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-1-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134218099
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-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-[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-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-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218029
2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 134237794
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 130233245
2-(9,9-dimethylfluoren-2-yl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170681257
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-[3-(11-methyl-11-propan-2-ylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 158445961

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc3oc4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc4c3cc21.CC1(C)c2ccccc2-c2cc3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccn6)n5)ccc4c3cc21.CC1(C)c2ccccc2-c2cc3oc4cc(-c5nc(-c6ccccn6)nc(-c6ccccn6)n5)ccc4c3cc21.
What is the InChIKey of 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?
The InChIKey is STTMYTWCWQNSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3O.C35H24N4O.C34H23N5O/c1-42(2)35-16-10-9-15-31(35)33-25-38-34(24-36(33)42)32-22-21-30(23-37(32)46-38)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;1-35(2)27-13-7-6-12-23(27)25-20-31-26(19-28(25)35)24-16-15-22(18-30(24)40-31)33-37-32(21-10-4-3-5-11-21)38-34(39-33)29-14-8-9-17-36-29;1-34(2)25-10-4-3-9-21(25)23-19-30-24(18-26(23)34)22-14-13-20(17-29(22)40-30)31-37-32(27-11-5-7-15-35-27)39-33(38-31)28-12-6-8-16-36-28/h3-25H,1-2H3;3-20H,1-2H3;3-19H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1625.91 g/mol, XLogP of 27.09, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160935015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).