2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine

C78H49N3O3 — CID 147530419

IUPAC2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc2c(c1)Oc1ccc(C3=NC(c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)NC(c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)N3)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C78H49N3O3/c1-7-25-55-49(19-1)50-20-2-8-26-56(50)76(55)61-31-13-16-34-67(61)82-70-40-37-46(43-64(70)76)73-79-74(47-38-41-71-65(44-47)77(62-32-14-17-35-68(62)83-71)57-27-9-3-21-51(57)52-22-4-10-28-58(52)77)81-75(80-73)48-39-42-72-66(45-48)78(63-33-15-18-36-69(63)84-72)59-29-11-5-23-53(59)54-24-6-12-30-60(54)78/h1-45,73-74,79H,(H,80,81)
InChIKeyFMXORTNBRATMER-UHFFFAOYSA-N
MW1076.27 g/mol
LogP17.43
Rot. Bonds3

About 2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine

2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 147530419) has the molecular formula C78H49N3O3 and a molecular weight of 1076.27 g/mol. Its IUPAC name is 2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID147530419
Molecular FormulaC78H49N3O3
Molecular Weight1076.27 g/mol
Exact Mass1075.38
IUPAC Name2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc2c(c1)Oc1ccc(C3=NC(c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)NC(c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)N3)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C78H49N3O3/c1-7-25-55-49(19-1)50-20-2-8-26-56(50)76(55)61-31-13-16-34-67(61)82-70-40-37-46(43-64(70)76)73-79-74(47-38-41-71-65(44-47)77(62-32-14-17-35-68(62)83-71)57-27-9-3-21-51(57)52-22-4-10-28-58(52)77)81-75(80-73)48-39-42-72-66(45-48)78(63-33-15-18-36-69(63)84-72)59-29-11-5-23-53(59)54-24-6-12-30-60(54)78/h1-45,73-74,79H,(H,80,81)
InChIKeyFMXORTNBRATMER-UHFFFAOYSA-N
XLogP17.43
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001076.27
LogP ≤ 517.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146321879
8-[7-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline
CID 163570159
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100996
4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 129157187
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
6-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 130379799
4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine
CID 130378906
2-naphthalen-2-yl-6-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-2-yl-1,4-dihydro-1,3,5-triazine
CID 146321910
12,12-dimethyl-5-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-11-spiro[fluorene-9,9'-xanthene]-2-ylindeno[2,1-a]carbazole
CID 146321981
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine
CID 146322030
6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-2-phenanthren-9-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 142504715

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine (CID 147530419) is 2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc2c(c1)Oc1ccc(C3=NC(c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)NC(c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)N3)cc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is FMXORTNBRATMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H49N3O3/c1-7-25-55-49(19-1)50-20-2-8-26-56(50)76(55)61-31-13-16-34-67(61)82-70-40-37-46(43-64(70)76)73-79-74(47-38-41-71-65(44-47)77(62-32-14-17-35-68(62)83-71)57-27-9-3-21-51(57)52-22-4-10-28-58(52)77)81-75(80-73)48-39-42-72-66(45-48)78(63-33-15-18-36-69(63)84-72)59-29-11-5-23-53(59)54-24-6-12-30-60(54)78/h1-45,73-74,79H,(H,80,81).
What are the key properties of 2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 1076.27 g/mol, XLogP of 17.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 147530419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).