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

C35H24N4O — CID 134237794

IUPAC2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccn4)n3)ccc2-c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C35H24N4O/c1-35(2)27-20-22(15-16-23(27)25-17-18-26-24-12-6-7-14-29(24)40-31(26)30(25)35)33-37-32(21-10-4-3-5-11-21)38-34(39-33)28-13-8-9-19-36-28/h3-20H,1-2H3
InChIKeyWSMIHHMLFVOVRM-UHFFFAOYSA-N
MW516.60 g/mol
LogP8.47
Rot. Bonds3

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

2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine (PubChem CID 134237794) has the molecular formula C35H24N4O and a molecular weight of 516.60 g/mol. Its IUPAC name is 2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
PubChem CID134237794
Molecular FormulaC35H24N4O
Molecular Weight516.60 g/mol
Exact Mass516.20
IUPAC Name2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccn4)n3)ccc2-c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C35H24N4O/c1-35(2)27-20-22(15-16-23(27)25-17-18-26-24-12-6-7-14-29(24)40-31(26)30(25)35)33-37-32(21-10-4-3-5-11-21)38-34(39-33)28-13-8-9-19-36-28/h3-20H,1-2H3
InChIKeyWSMIHHMLFVOVRM-UHFFFAOYSA-N
XLogP8.47
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.60
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-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-(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-dibenzofuran-4-yl-4-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166025643
7-dibenzofuran-4-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
CID 118476820
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-6-yl)-4-(9,9-dimethylfluoren-2-yl)-6-pyridin-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160982163
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 130232482
2-dibenzofuran-4-yl-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614151
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
4-[3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 154602683
7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-10-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene;20,20-dimethyl-18-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-oxa-17-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-20-oxa-7-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-3-oxa-16-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 159598751
2-(9,9-dimethylfluoren-2-yl)-4-[8-(9,9-dimethylfluoren-1-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651225

Frequently Asked Questions

What is the IUPAC name of 2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine (CID 134237794) is 2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine is CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccn4)n3)ccc2-c2ccc3c(oc4ccccc43)c21.
What is the InChIKey of 2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The InChIKey is WSMIHHMLFVOVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N4O/c1-35(2)27-20-22(15-16-23(27)25-17-18-26-24-12-6-7-14-29(24)40-31(26)30(25)35)33-37-32(21-10-4-3-5-11-21)38-34(39-33)28-13-8-9-19-36-28/h3-20H,1-2H3.
What are the key properties of 2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine has a molecular weight of 516.60 g/mol, XLogP of 8.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 134237794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).