2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine

C46H31N3O — CID 170680990

IUPAC2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)n3)cccc21
InChIInChI=1S/C46H31N3O/c1-46(2)37-19-9-8-16-34(37)41-36(18-10-20-38(41)46)45-48-43(31-23-22-28-12-6-7-15-30(28)26-31)47-44(49-45)32-24-25-35-40(27-32)50-39-21-11-17-33(42(35)39)29-13-4-3-5-14-29/h3-27H,1-2H3
InChIKeyBSOBFUUHMOJILS-UHFFFAOYSA-N
MW641.77 g/mol
LogP11.90
Rot. Bonds4

About 2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine

2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine (PubChem CID 170680990) has the molecular formula C46H31N3O and a molecular weight of 641.77 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
PubChem CID170680990
Molecular FormulaC46H31N3O
Molecular Weight641.77 g/mol
Exact Mass641.25
IUPAC Name2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)n3)cccc21
InChIInChI=1S/C46H31N3O/c1-46(2)37-19-9-8-16-34(37)41-36(18-10-20-38(41)46)45-48-43(31-23-22-28-12-6-7-15-30(28)26-31)47-44(49-45)32-24-25-35-40(27-32)50-39-21-11-17-33(42(35)39)29-13-4-3-5-14-29/h3-27H,1-2H3
InChIKeyBSOBFUUHMOJILS-UHFFFAOYSA-N
XLogP11.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.77
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680942
2-(9,9-dimethylfluoren-4-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681081
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-4-yl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681339
2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[3-[9-(3-phenylphenyl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine
CID 170681289
2-(9,9-dimethylfluoren-1-yl)-4-naphthalen-2-yl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681008
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-naphthalen-2-yl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680970
2-(9,9-dimethylfluoren-3-yl)-4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 170680861
2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681114
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-naphthalen-2-yl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681105
2-(9,9-dimethylfluoren-4-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[3-[9-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine
CID 170681134
3-[4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170681002
2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine
CID 163527458

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine (CID 170680990) is 2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)n3)cccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The InChIKey is BSOBFUUHMOJILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3O/c1-46(2)37-19-9-8-16-34(37)41-36(18-10-20-38(41)46)45-48-43(31-23-22-28-12-6-7-15-30(28)26-31)47-44(49-45)32-24-25-35-40(27-32)50-39-21-11-17-33(42(35)39)29-13-4-3-5-14-29/h3-27H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine has a molecular weight of 641.77 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine is sourced from PubChem (CID 170680990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).