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

C51H32N4O — CID 139306539

IUPAC2-phenyl-4-[3-(3-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(-c5cccnc5)c4)c3)nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)n2)cc1
InChIInChI=1S/C51H32N4O/c1-2-14-33(15-3-1)48-53-49(37-19-11-17-35(31-37)34-16-10-18-36(30-34)38-20-13-29-52-32-38)55-50(54-48)41-23-12-22-40-39-21-4-5-24-42(39)51(47(40)41)43-25-6-8-27-45(43)56-46-28-9-7-26-44(46)51/h1-32H
InChIKeyZWMJNEAUMAMQSJ-UHFFFAOYSA-N
MW716.84 g/mol
LogP12.07
Rot. Bonds5

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

2-phenyl-4-[3-(3-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazine (PubChem CID 139306539) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 2-phenyl-4-[3-(3-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[3-(3-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazine
PubChem CID139306539
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name2-phenyl-4-[3-(3-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(-c5cccnc5)c4)c3)nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)n2)cc1
InChIInChI=1S/C51H32N4O/c1-2-14-33(15-3-1)48-53-49(37-19-11-17-35(31-37)34-16-10-18-36(30-34)38-20-13-29-52-32-38)55-50(54-48)41-23-12-22-40-39-21-4-5-24-42(39)51(47(40)41)43-25-6-8-27-45(43)56-46-28-9-7-26-44(46)51/h1-32H
InChIKeyZWMJNEAUMAMQSJ-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-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 139306583
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
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
2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine
CID 154596998
2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine
CID 137452000
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297786
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-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146633258
2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]-1,3,5-triazine
CID 146343033

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[3-(3-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[3-(3-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazine (CID 139306539) is 2-phenyl-4-[3-(3-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[3-(3-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[3-(3-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4cccc(-c5cccnc5)c4)c3)nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)n2)cc1.
What is the InChIKey of 2-phenyl-4-[3-(3-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazine?
The InChIKey is ZWMJNEAUMAMQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-2-14-33(15-3-1)48-53-49(37-19-11-17-35(31-37)34-16-10-18-36(30-34)38-20-13-29-52-32-38)55-50(54-48)41-23-12-22-40-39-21-4-5-24-42(39)51(47(40)41)43-25-6-8-27-45(43)56-46-28-9-7-26-44(46)51/h1-32H.
What are the key properties of 2-phenyl-4-[3-(3-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazine?
2-phenyl-4-[3-(3-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-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-[3-(3-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazine is sourced from PubChem (CID 139306539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).