2-[7-(2,6-dipyridin-4-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine

C55H34N6O — CID 164793165

IUPAC2-[7-(2,6-dipyridin-4-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5cc(-c6ccncc6)nc(-c6ccncc6)c5)ccc3-4)n2)cc1
InChIInChI=1S/C55H34N6O/c1-3-11-37(12-4-1)52-59-53(38-13-5-2-6-14-38)61-54(60-52)40-20-22-43-42-21-19-39(41-33-48(35-23-27-56-28-24-35)58-49(34-41)36-25-29-57-30-26-36)31-46(42)55(47(43)32-40)44-15-7-9-17-50(44)62-51-18-10-8-16-45(51)55/h1-34H
InChIKeyRREAPXLBAKKDGP-UHFFFAOYSA-N
MW794.92 g/mol
LogP12.53
Rot. Bonds6

About 2-[7-(2,6-dipyridin-4-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine

2-[7-(2,6-dipyridin-4-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 164793165) has the molecular formula C55H34N6O and a molecular weight of 794.92 g/mol. Its IUPAC name is 2-[7-(2,6-dipyridin-4-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[7-(2,6-dipyridin-4-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID164793165
Molecular FormulaC55H34N6O
Molecular Weight794.92 g/mol
Exact Mass794.28
IUPAC Name2-[7-(2,6-dipyridin-4-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5cc(-c6ccncc6)nc(-c6ccncc6)c5)ccc3-4)n2)cc1
InChIInChI=1S/C55H34N6O/c1-3-11-37(12-4-1)52-59-53(38-13-5-2-6-14-38)61-54(60-52)40-20-22-43-42-21-19-39(41-33-48(35-23-27-56-28-24-35)58-49(34-41)36-25-29-57-30-26-36)31-46(42)55(47(43)32-40)44-15-7-9-17-50(44)62-51-18-10-8-16-45(51)55/h1-34H
InChIKeyRREAPXLBAKKDGP-UHFFFAOYSA-N
XLogP12.53
TPSA86.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.92
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-(7-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
CID 167178163
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
4-(17-phenylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene]-11-yl)pyridine
CID 134571333
2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine
CID 167177935
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 129263263
2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 163776996
2,4-diphenyl-6-[3-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,3,5-triazine
CID 164793285
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297866
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316
2-(3,5-diphenylphenyl)-4-phenyl-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 134571454
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-[3-[7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943557

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2,6-dipyridin-4-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[7-(2,6-dipyridin-4-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 164793165) is 2-[7-(2,6-dipyridin-4-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[7-(2,6-dipyridin-4-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[7-(2,6-dipyridin-4-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5cc(-c6ccncc6)nc(-c6ccncc6)c5)ccc3-4)n2)cc1.
What is the InChIKey of 2-[7-(2,6-dipyridin-4-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is RREAPXLBAKKDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N6O/c1-3-11-37(12-4-1)52-59-53(38-13-5-2-6-14-38)61-54(60-52)40-20-22-43-42-21-19-39(41-33-48(35-23-27-56-28-24-35)58-49(34-41)36-25-29-57-30-26-36)31-46(42)55(47(43)32-40)44-15-7-9-17-50(44)62-51-18-10-8-16-45(51)55/h1-34H.
What are the key properties of 2-[7-(2,6-dipyridin-4-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine?
2-[7-(2,6-dipyridin-4-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 794.92 g/mol, XLogP of 12.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2,6-dipyridin-4-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 164793165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).