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

C42H29N3O — CID 134237813

IUPAC2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-6-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)c3oc4ccccc4c3c21
InChIInChI=1S/C42H29N3O/c1-42(2)34-23-13-11-20-29(34)32-25-33(38-36(37(32)42)31-22-12-14-24-35(31)46-38)41-44-39(27-17-7-4-8-18-27)43-40(45-41)30-21-10-9-19-28(30)26-15-5-3-6-16-26/h3-25H,1-2H3
InChIKeyRUHOLCAFPFVJFB-UHFFFAOYSA-N
MW591.71 g/mol
LogP10.75
Rot. Bonds4

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

2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-6-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 134237813) 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-6-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-6-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID134237813
Molecular FormulaC42H29N3O
Molecular Weight591.71 g/mol
Exact Mass591.23
IUPAC Name2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-6-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)c3oc4ccccc4c3c21
InChIInChI=1S/C42H29N3O/c1-42(2)34-23-13-11-20-29(34)32-25-33(38-36(37(32)42)31-22-12-14-24-35(31)46-38)41-44-39(27-17-7-4-8-18-27)43-40(45-41)30-21-10-9-19-28(30)26-15-5-3-6-16-26/h3-25H,1-2H3
InChIKeyRUHOLCAFPFVJFB-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-6-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
2-[8-(9,9-dimethylfluoren-1-yl)dibenzofuran-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166002414
2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491033
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 130233245
2-(4-dibenzofuran-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146649093
2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170680833
2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166953318
2-(9,9-dimethylfluoren-1-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680820
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-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 163785140
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166002481

Frequently Asked Questions

What is the IUPAC name of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-6-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-6-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (CID 134237813) is 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-6-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-6-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-6-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)c3oc4ccccc4c3c21.
What is the InChIKey of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-6-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is RUHOLCAFPFVJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3O/c1-42(2)34-23-13-11-20-29(34)32-25-33(38-36(37(32)42)31-22-12-14-24-35(31)46-38)41-44-39(27-17-7-4-8-18-27)43-40(45-41)30-21-10-9-19-28(30)26-15-5-3-6-16-26/h3-25H,1-2H3.
What are the key properties of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-6-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-6-yl)-4-phenyl-6-(2-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-6-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 134237813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).