9-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

C42H28N4O — CID 130233120

IUPAC9-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESCC1(C)c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)n3)c2-c2ccc3oc4ccccc4c3c21
InChIInChI=1S/C42H28N4O/c1-42(2)31-19-12-18-30(36(31)29-23-24-35-37(38(29)42)28-17-8-11-22-34(28)47-35)40-43-39(25-13-4-3-5-14-25)44-41(45-40)46-32-20-9-6-15-26(32)27-16-7-10-21-33(27)46/h3-24H,1-2H3
InChIKeyGVOOJQHZCILTCO-UHFFFAOYSA-N
MW604.71 g/mol
LogP10.51
Rot. Bonds3

About 9-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

9-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 130233120) has the molecular formula C42H28N4O and a molecular weight of 604.71 g/mol. Its IUPAC name is 9-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
PubChem CID130233120
Molecular FormulaC42H28N4O
Molecular Weight604.71 g/mol
Exact Mass604.23
IUPAC Name9-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESCC1(C)c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)n3)c2-c2ccc3oc4ccccc4c3c21
InChIInChI=1S/C42H28N4O/c1-42(2)31-19-12-18-30(36(31)29-23-24-35-37(38(29)42)28-17-8-11-22-34(28)47-35)40-43-39(25-13-4-3-5-14-25)44-41(45-40)46-32-20-9-6-15-26(32)27-16-7-10-21-33(27)46/h3-24H,1-2H3
InChIKeyGVOOJQHZCILTCO-UHFFFAOYSA-N
XLogP10.51
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134237882
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
9-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358093
11-[4-dibenzofuran-1-yl-6-[2-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
CID 163676948
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
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 118888358
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
12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118888305
9-[1-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 165166711
1-dibenzofuran-1-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 163882752
2-(6-dibenzofuran-1-yl-9,9-dimethylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 118507911

Frequently Asked Questions

What is the IUPAC name of 9-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 130233120) is 9-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is CC1(C)c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)n3)c2-c2ccc3oc4ccccc4c3c21.
What is the InChIKey of 9-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is GVOOJQHZCILTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4O/c1-42(2)31-19-12-18-30(36(31)29-23-24-35-37(38(29)42)28-17-8-11-22-34(28)47-35)40-43-39(25-13-4-3-5-14-25)44-41(45-40)46-32-20-9-6-15-26(32)27-16-7-10-21-33(27)46/h3-24H,1-2H3.
What are the key properties of 9-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
9-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 604.71 g/mol, XLogP of 10.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 130233120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).