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

C51H32N4O — CID 139306583

IUPAC2-phenyl-4-[4-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccnc5)cc4)cc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)n2)cc1
InChIInChI=1S/C51H32N4O/c1-2-11-36(12-3-1)48-53-49(37-26-24-34(25-27-37)33-20-22-35(23-21-33)39-13-10-30-52-32-39)55-50(54-48)38-28-29-41-40-14-4-5-15-42(40)51(45(41)31-38)43-16-6-8-18-46(43)56-47-19-9-7-17-44(47)51/h1-32H
InChIKeyXOUPBQILLWKGHI-UHFFFAOYSA-N
MW716.84 g/mol
LogP12.07
Rot. Bonds5

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

2-phenyl-4-[4-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine (PubChem CID 139306583) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 2-phenyl-4-[4-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[4-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
PubChem CID139306583
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name2-phenyl-4-[4-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccnc5)cc4)cc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)n2)cc1
InChIInChI=1S/C51H32N4O/c1-2-11-36(12-3-1)48-53-49(37-26-24-34(25-27-37)33-20-22-35(23-21-33)39-13-10-30-52-32-39)55-50(54-48)38-28-29-41-40-14-4-5-15-42(40)51(45(41)31-38)43-16-6-8-18-46(43)56-47-19-9-7-17-44(47)51/h1-32H
InChIKeyXOUPBQILLWKGHI-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-[3-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,3,5-triazine
CID 164793285
2,4-bis(3-pyridin-3-ylphenyl)-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 134571377
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 130261378
2,4-bis(4-pyridin-3-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 130261410
2-(10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 134571501
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-(4-phenylphenyl)-6-(7-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
CID 167178163
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
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 129263263
2-phenyl-4-[3-(3-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazine
CID 139306539
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-[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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[4-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine (CID 139306583) is 2-phenyl-4-[4-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[4-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[4-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccnc5)cc4)cc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)n2)cc1.
What is the InChIKey of 2-phenyl-4-[4-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine?
The InChIKey is XOUPBQILLWKGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-2-11-36(12-3-1)48-53-49(37-26-24-34(25-27-37)33-20-22-35(23-21-33)39-13-10-30-52-32-39)55-50(54-48)38-28-29-41-40-14-4-5-15-42(40)51(45(41)31-38)43-16-6-8-18-46(43)56-47-19-9-7-17-44(47)51/h1-32H.
What are the key properties of 2-phenyl-4-[4-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine?
2-phenyl-4-[4-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-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-phenyl-4-[4-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine is sourced from PubChem (CID 139306583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).