2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine

C40H27N3O — CID 134237811

IUPAC2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4cccc5ccccc45)n3)cc3oc4ccccc4c3c21
InChIInChI=1S/C40H27N3O/c1-40(2)31-21-10-8-18-28(31)34-30(23-33-35(36(34)40)29-19-9-11-22-32(29)44-33)39-42-37(25-14-4-3-5-15-25)41-38(43-39)27-20-12-16-24-13-6-7-17-26(24)27/h3-23H,1-2H3
InChIKeyVRNWPJZEYHKGNN-UHFFFAOYSA-N
MW565.68 g/mol
LogP10.23
Rot. Bonds3

About 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine

2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 134237811) has the molecular formula C40H27N3O and a molecular weight of 565.68 g/mol. Its IUPAC name is 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
PubChem CID134237811
Molecular FormulaC40H27N3O
Molecular Weight565.68 g/mol
Exact Mass565.22
IUPAC Name2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4cccc5ccccc45)n3)cc3oc4ccccc4c3c21
InChIInChI=1S/C40H27N3O/c1-40(2)31-21-10-8-18-28(31)34-30(23-33-35(36(34)40)29-19-9-11-22-32(29)44-33)39-42-37(25-14-4-3-5-15-25)41-38(43-39)27-20-12-16-24-13-6-7-17-26(24)27/h3-23H,1-2H3
InChIKeyVRNWPJZEYHKGNN-UHFFFAOYSA-N
XLogP10.23
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-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-dibenzofuran-1-yl-4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-pyrimidin-2-yl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 158004168
2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine
CID 134218171
2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134237882
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20,20-dimethyl-9-oxa-15-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 130232596
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681249
2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731767
2-(6-dibenzofuran-1-yl-9,9-dimethylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 118507911
2-dibenzofuran-1-yl-4-[8-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166003049
2-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 165024339
2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-6-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 134237813
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-4-yl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681339
2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine
CID 134218172

Frequently Asked Questions

What is the IUPAC name of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (CID 134237811) is 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4cccc5ccccc45)n3)cc3oc4ccccc4c3c21.
What is the InChIKey of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The InChIKey is VRNWPJZEYHKGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3O/c1-40(2)31-21-10-8-18-28(31)34-30(23-33-35(36(34)40)29-19-9-11-22-32(29)44-33)39-42-37(25-14-4-3-5-15-25)41-38(43-39)27-20-12-16-24-13-6-7-17-26(24)27/h3-23H,1-2H3.
What are the key properties of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine has a molecular weight of 565.68 g/mol, XLogP of 10.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 134237811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).