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

C45H30N4O — CID 146322023

IUPAC4-phenyl-2-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3ccccn3)NC(c3ccccc3-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)=N2)cc1
InChIInChI=1S/C45H30N4O/c1-2-15-29(16-3-1)42-47-43(49-44(48-42)39-26-12-13-28-46-39)34-20-5-4-17-30(34)33-21-14-25-38-41(33)50-40-27-11-10-24-37(40)45(38)35-22-8-6-18-31(35)32-19-7-9-23-36(32)45/h1-28,42H,(H,47,48,49)
InChIKeyPELWVHSEZYIPLY-UHFFFAOYSA-N
MW642.76 g/mol
LogP9.71
Rot. Bonds4

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

4-phenyl-2-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 146322023) has the molecular formula C45H30N4O and a molecular weight of 642.76 g/mol. Its IUPAC name is 4-phenyl-2-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-phenyl-2-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine
PubChem CID146322023
Molecular FormulaC45H30N4O
Molecular Weight642.76 g/mol
Exact Mass642.24
IUPAC Name4-phenyl-2-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3ccccn3)NC(c3ccccc3-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)=N2)cc1
InChIInChI=1S/C45H30N4O/c1-2-15-29(16-3-1)42-47-43(49-44(48-42)39-26-12-13-28-46-39)34-20-5-4-17-30(34)33-21-14-25-38-41(33)50-40-27-11-10-24-37(40)45(38)35-22-8-6-18-31(35)32-19-7-9-23-36(32)45/h1-28,42H,(H,47,48,49)
InChIKeyPELWVHSEZYIPLY-UHFFFAOYSA-N
XLogP9.71
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 59.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-6-pyridin-2-yl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 130379889
2,4-diphenyl-6-(5-spiro[fluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)-1,4-dihydro-1,3,5-triazine
CID 155443117
4,6-bis(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 137388370
2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 130379549
2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947317
2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 146321898
4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388774
2,4-diphenyl-6-[3-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 129263235
4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]spiro[benzo[c]fluorene-7,9'-xanthene]-4'-yl]aniline
CID 163850407
4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388368
3-amino-5-[4'-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]benzonitrile
CID 139476567
4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388366

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-phenyl-2-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine (CID 146322023) is 4-phenyl-2-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-phenyl-2-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-phenyl-2-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine is c1ccc(C2N=C(c3ccccn3)NC(c3ccccc3-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)=N2)cc1.
What is the InChIKey of 4-phenyl-2-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is PELWVHSEZYIPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4O/c1-2-15-29(16-3-1)42-47-43(49-44(48-42)39-26-12-13-28-46-39)34-20-5-4-17-30(34)33-21-14-25-38-41(33)50-40-27-11-10-24-37(40)45(38)35-22-8-6-18-31(35)32-19-7-9-23-36(32)45/h1-28,42H,(H,47,48,49).
What are the key properties of 4-phenyl-2-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine?
4-phenyl-2-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 642.76 g/mol, XLogP of 9.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 146322023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).