2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C42H29N3O — CID 134237882

IUPAC2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2-c2ccc3oc4ccccc4c3c21
InChIInChI=1S/C42H29N3O/c1-42(2)33-21-12-20-32(36(33)31-23-24-35-37(38(31)42)30-19-9-10-22-34(30)46-35)41-44-39(27-15-7-4-8-16-27)43-40(45-41)29-18-11-17-28(25-29)26-13-5-3-6-14-26/h3-25H,1-2H3
InChIKeyNXFYBCYPWUURNN-UHFFFAOYSA-N
MW591.71 g/mol
LogP10.75
Rot. Bonds4

About 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 134237882) has the molecular formula C42H29N3O and a molecular weight of 591.71 g/mol. Its IUPAC name is 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID134237882
Molecular FormulaC42H29N3O
Molecular Weight591.71 g/mol
Exact Mass591.23
IUPAC Name2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2-c2ccc3oc4ccccc4c3c21
InChIInChI=1S/C42H29N3O/c1-42(2)33-21-12-20-32(36(33)31-23-24-35-37(38(31)42)30-19-9-10-22-34(30)46-35)41-44-39(27-15-7-4-8-16-27)43-40(45-41)29-18-11-17-28(25-29)26-13-5-3-6-14-26/h3-25H,1-2H3
InChIKeyNXFYBCYPWUURNN-UHFFFAOYSA-N
XLogP10.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.71
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

9-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 130233120
2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-16-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 130233207
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-dimethylfluoren-4-yl)-4-phenyl-6-[3-[9-(3-phenylphenyl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine
CID 170681289
2-(6-dibenzofuran-1-yl-9,9-dimethylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 118507911
2-[8-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153369225
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
2-(9,9-dimethylfluoren-4-yl)-4-[3-methyl-5-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-18-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 176877834
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-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 134237811
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-4-yl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681339
2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680942

Frequently Asked Questions

What is the IUPAC name of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 134237882) is 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is CC1(C)c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2-c2ccc3oc4ccccc4c3c21.
What is the InChIKey of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is NXFYBCYPWUURNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3O/c1-42(2)33-21-12-20-32(36(33)31-23-24-35-37(38(31)42)30-19-9-10-22-34(30)46-35)41-44-39(27-15-7-4-8-16-27)43-40(45-41)29-18-11-17-28(25-29)26-13-5-3-6-14-26/h3-25H,1-2H3.
What are the key properties of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 591.71 g/mol, XLogP of 10.75, 4 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-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 134237882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).