2-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C61H41N3O — CID 147172045

IUPAC2-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c3-4)cccc21
InChIInChI=1S/C61H41N3O/c1-60(2)47-27-10-9-24-44(47)55-43(25-16-30-50(55)60)41-34-35-45-52(37-41)61(48-28-11-13-32-53(48)65-54-33-14-12-29-49(54)61)51-31-17-26-46(56(45)51)59-63-57(39-20-7-4-8-21-39)62-58(64-59)42-23-15-22-40(36-42)38-18-5-3-6-19-38/h3-37H,1-2H3
InChIKeyBXXHZLFOXACEKI-UHFFFAOYSA-N
MW832.02 g/mol
LogP14.98
Rot. Bonds5

About 2-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 147172045) has the molecular formula C61H41N3O and a molecular weight of 832.02 g/mol. Its IUPAC name is 2-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID147172045
Molecular FormulaC61H41N3O
Molecular Weight832.02 g/mol
Exact Mass831.32
IUPAC Name2-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c3-4)cccc21
InChIInChI=1S/C61H41N3O/c1-60(2)47-27-10-9-24-44(47)55-43(25-16-30-50(55)60)41-34-35-45-52(37-41)61(48-28-11-13-32-53(48)65-54-33-14-12-29-49(54)61)51-31-17-26-46(56(45)51)59-63-57(39-20-7-4-8-21-39)62-58(64-59)42-23-15-22-40(36-42)38-18-5-3-6-19-38/h3-37H,1-2H3
InChIKeyBXXHZLFOXACEKI-UHFFFAOYSA-N
XLogP14.98
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.02
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297864
2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326904
2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine
CID 154597002
2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-[3-[3-[4-[(9R)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 166738180
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine
CID 153297845
2-phenyl-4-(3-phenylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571369
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 140947408
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326888
[4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645488
2,4-diphenyl-6-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine
CID 153297678
4-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 121450715

Frequently Asked Questions

What is the IUPAC name of 2-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 147172045) is 2-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c3-4)cccc21.
What is the InChIKey of 2-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is BXXHZLFOXACEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N3O/c1-60(2)47-27-10-9-24-44(47)55-43(25-16-30-50(55)60)41-34-35-45-52(37-41)61(48-28-11-13-32-53(48)65-54-33-14-12-29-49(54)61)51-31-17-26-46(56(45)51)59-63-57(39-20-7-4-8-21-39)62-58(64-59)42-23-15-22-40(36-42)38-18-5-3-6-19-38/h3-37H,1-2H3.
What are the key properties of 2-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 832.02 g/mol, XLogP of 14.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 147172045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).