9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole

C55H40N4O — CID 144955849

IUPAC9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccccc21.Cc1nc(-c2ccccc2)nc(-c2cccc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c23)n1
InChIInChI=1S/C40H26N4O.C15H14/c1-25-41-39(26-11-4-2-5-12-26)43-40(42-25)31-16-10-18-37-38(31)33-24-28(20-22-36(33)45-37)27-19-21-35-32(23-27)30-15-8-9-17-34(30)44(35)29-13-6-3-7-14-29;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h2-24H,1H3;3-10H,1-2H3
InChIKeyNFXYEMFVAOAIOE-UHFFFAOYSA-N
MW772.95 g/mol
LogP14.17
Rot. Bonds4

About 9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole

9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 144955849) has the molecular formula C55H40N4O and a molecular weight of 772.95 g/mol. Its IUPAC name is 9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
PubChem CID144955849
Molecular FormulaC55H40N4O
Molecular Weight772.95 g/mol
Exact Mass772.32
IUPAC Name9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccccc21.Cc1nc(-c2ccccc2)nc(-c2cccc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c23)n1
InChIInChI=1S/C40H26N4O.C15H14/c1-25-41-39(26-11-4-2-5-12-26)43-40(42-25)31-16-10-18-37-38(31)33-24-28(20-22-36(33)45-37)27-19-21-35-32(23-27)30-15-8-9-17-34(30)44(35)29-13-6-3-7-14-29;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h2-24H,1H3;3-10H,1-2H3
InChIKeyNFXYEMFVAOAIOE-UHFFFAOYSA-N
XLogP14.17
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.95
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 168768795
3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 165008539
3-[2-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602257
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)-6-[8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377446
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)carbazole
CID 154602166
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168767935
3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 168768529
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
3-[9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118888276

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
The IUPAC name of 9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole (CID 144955849) is 9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
The canonical SMILES for 9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccccc21.Cc1nc(-c2ccccc2)nc(-c2cccc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c23)n1.
What is the InChIKey of 9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
The InChIKey is NFXYEMFVAOAIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4O.C15H14/c1-25-41-39(26-11-4-2-5-12-26)43-40(42-25)31-16-10-18-37-38(31)33-24-28(20-22-36(33)45-37)27-19-21-35-32(23-27)30-15-8-9-17-34(30)44(35)29-13-6-3-7-14-29;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h2-24H,1H3;3-10H,1-2H3.
What are the key properties of 9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 772.95 g/mol, XLogP of 14.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 144955849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).