12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole

C48H32N4O — CID 146761337

IUPAC12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4ccc5c(oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c65)c43)c21
InChIInChI=1S/C48H32N4O/c1-48(2)37-23-11-9-19-31(37)33-21-13-25-39(42(33)48)52-38-24-12-10-20-32(38)34-27-28-35-41-36(22-14-26-40(41)53-44(35)43(34)52)47-50-45(29-15-5-3-6-16-29)49-46(51-47)30-17-7-4-8-18-30/h3-28H,1-2H3
InChIKeyRPMISVOBQBMUJR-UHFFFAOYSA-N
MW680.81 g/mol
LogP12.18
Rot. Bonds4

About 12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole

12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 146761337) has the molecular formula C48H32N4O and a molecular weight of 680.81 g/mol. Its IUPAC name is 12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
PubChem CID146761337
Molecular FormulaC48H32N4O
Molecular Weight680.81 g/mol
Exact Mass680.26
IUPAC Name12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4ccc5c(oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c65)c43)c21
InChIInChI=1S/C48H32N4O/c1-48(2)37-23-11-9-19-31(37)33-21-13-25-39(42(33)48)52-38-24-12-10-20-32(38)34-27-28-35-41-36(22-14-26-40(41)53-44(35)43(34)52)47-50-45(29-15-5-3-6-16-29)49-46(51-47)30-17-7-4-8-18-30/h3-28H,1-2H3
InChIKeyRPMISVOBQBMUJR-UHFFFAOYSA-N
XLogP12.18
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.81
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 165076311
12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole
CID 155159700
7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146519894
12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole
CID 164953799
5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 155160065
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
7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163853917
9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole
CID 176773398
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-a]carbazole
CID 164757785
9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080349
1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 170080056
11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
CID 126628967

Frequently Asked Questions

What is the IUPAC name of 12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole (CID 146761337) is 12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole is CC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4ccc5c(oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c65)c43)c21.
What is the InChIKey of 12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is RPMISVOBQBMUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4O/c1-48(2)37-23-11-9-19-31(37)33-21-13-25-39(42(33)48)52-38-24-12-10-20-32(38)34-27-28-35-41-36(22-14-26-40(41)53-44(35)43(34)52)47-50-45(29-15-5-3-6-16-29)49-46(51-47)30-17-7-4-8-18-30/h3-28H,1-2H3.
What are the key properties of 12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole?
12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 680.81 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 146761337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).