2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine

C45H33N3O — CID 130232494

IUPAC2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccc6c(oc7ccccc76)c4C5(C)C)n3)cc21
InChIInChI=1S/C45H33N3O/c1-44(2)34-18-10-8-15-28(34)29-22-21-27(25-36(29)44)42-46-41(26-13-6-5-7-14-26)47-43(48-42)33-17-12-19-35-38(33)32-24-23-31-30-16-9-11-20-37(30)49-40(31)39(32)45(35,3)4/h5-25H,1-4H3
InChIKeyPMZMNVGYLMXULK-UHFFFAOYSA-N
MW631.78 g/mol
LogP11.38
Rot. Bonds3

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

2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine (PubChem CID 130232494) has the molecular formula C45H33N3O and a molecular weight of 631.78 g/mol. Its IUPAC name is 2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
PubChem CID130232494
Molecular FormulaC45H33N3O
Molecular Weight631.78 g/mol
Exact Mass631.26
IUPAC Name2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccc6c(oc7ccccc76)c4C5(C)C)n3)cc21
InChIInChI=1S/C45H33N3O/c1-44(2)34-18-10-8-15-28(34)29-22-21-27(25-36(29)44)42-46-41(26-13-6-5-7-14-26)47-43(48-42)33-17-12-19-35-38(33)32-24-23-31-30-16-9-11-20-37(30)49-40(31)39(32)45(35,3)4/h5-25H,1-4H3
InChIKeyPMZMNVGYLMXULK-UHFFFAOYSA-N
XLogP11.38
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.78
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-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-dibenzofuran-3-yl-4,6-diphenylpyrimidine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158848714
2-dibenzofuran-4-yl-4-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166025643
2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602751
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491277
2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 134237794
2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine
CID 130232493
2-dibenzofuran-2-yl-4-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 163722248
2-(9,9-dimethylfluoren-2-yl)-4-[8-(9,9-dimethylfluoren-1-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651225
2-dibenzofuran-3-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602580

Frequently Asked Questions

What is the IUPAC name of 2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 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) is 2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccc6c(oc7ccccc76)c4C5(C)C)n3)cc21.
What is the InChIKey of 2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is PMZMNVGYLMXULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N3O/c1-44(2)34-18-10-8-15-28(34)29-22-21-27(25-36(29)44)42-46-41(26-13-6-5-7-14-26)47-43(48-42)33-17-12-19-35-38(33)32-24-23-31-30-16-9-11-20-37(30)49-40(31)39(32)45(35,3)4/h5-25H,1-4H3.
What are the key properties of 2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 631.78 g/mol, XLogP of 11.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 130232494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).