2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine

C51H32N4O — CID 167177935

IUPAC2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)-c4cc(-c6ccncc6)ccc4C54c5ccccc5Oc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C51H32N4O/c1-3-11-35(12-4-1)48-53-49(36-13-5-2-6-14-36)55-50(54-48)37-21-19-33(20-22-37)38-23-25-42-40(31-38)41-32-39(34-27-29-52-30-28-34)24-26-43(41)51(42)44-15-7-9-17-46(44)56-47-18-10-8-16-45(47)51/h1-32H
InChIKeyFVDDLOGLXSPUSI-UHFFFAOYSA-N
MW716.84 g/mol
LogP12.07
Rot. Bonds5

About 2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine

2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine (PubChem CID 167177935) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine
PubChem CID167177935
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)-c4cc(-c6ccncc6)ccc4C54c5ccccc5Oc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C51H32N4O/c1-3-11-35(12-4-1)48-53-49(36-13-5-2-6-14-36)55-50(54-48)37-21-19-33(20-22-37)38-23-25-42-40(31-38)41-32-39(34-27-29-52-30-28-34)24-26-43(41)51(42)44-15-7-9-17-46(44)56-47-18-10-8-16-45(47)51/h1-32H
InChIKeyFVDDLOGLXSPUSI-UHFFFAOYSA-N
XLogP12.07
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine
CID 154596947
2-phenyl-4-(4-phenylphenyl)-6-(7-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
CID 167178163
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
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-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297762
2-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297722
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-[7-(2,6-dipyridin-4-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 164793165
2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 149001752
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-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 155305190

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine (CID 167177935) is 2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)-c4cc(-c6ccncc6)ccc4C54c5ccccc5Oc5ccccc54)cc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine?
The InChIKey is FVDDLOGLXSPUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-3-11-35(12-4-1)48-53-49(36-13-5-2-6-14-36)55-50(54-48)37-21-19-33(20-22-37)38-23-25-42-40(31-38)41-32-39(34-27-29-52-30-28-34)24-26-43(41)51(42)44-15-7-9-17-46(44)56-47-18-10-8-16-45(47)51/h1-32H.
What are the key properties of 2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine has a molecular weight of 716.84 g/mol, XLogP of 12.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 167177935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).