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

C45H28N4O — CID 146549517

IUPAC2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccccn5)ccc3-4)n2)cc1
InChIInChI=1S/C45H28N4O/c1-3-13-29(14-4-1)42-47-43(30-15-5-2-6-16-30)49-44(48-42)32-23-25-34-33-24-22-31(39-19-11-12-26-46-39)27-37(33)45(38(34)28-32)35-17-7-9-20-40(35)50-41-21-10-8-18-36(41)45/h1-28H
InChIKeyCBJQBTYAWFMKBT-UHFFFAOYSA-N
MW640.75 g/mol
LogP10.40
Rot. Bonds4

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

2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine (PubChem CID 146549517) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
PubChem CID146549517
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccccn5)ccc3-4)n2)cc1
InChIInChI=1S/C45H28N4O/c1-3-13-29(14-4-1)42-47-43(30-15-5-2-6-16-30)49-44(48-42)32-23-25-34-33-24-22-31(39-19-11-12-26-46-39)27-37(33)45(38(34)28-32)35-17-7-9-20-40(35)50-41-21-10-8-18-36(41)45/h1-28H
InChIKeyCBJQBTYAWFMKBT-UHFFFAOYSA-N
XLogP10.40
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-diphenyl-2-[4-[7-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]pyrimidine
CID 167177967
2-phenyl-4-[3-[6-[4-[4-(3-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 139307625
2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
CID 167178347
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
2-phenyl-4-(4-phenylphenyl)-6-(7-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
CID 167178163
4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine
CID 167178504
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 129263263
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316
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-(3,5-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-(4-phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146631999

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine (CID 146549517) is 2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccccn5)ccc3-4)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine?
The InChIKey is CBJQBTYAWFMKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-3-13-29(14-4-1)42-47-43(30-15-5-2-6-16-30)49-44(48-42)32-23-25-34-33-24-22-31(39-19-11-12-26-46-39)27-37(33)45(38(34)28-32)35-17-7-9-20-40(35)50-41-21-10-8-18-36(41)45/h1-28H.
What are the key properties of 2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine?
2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine has a molecular weight of 640.75 g/mol, XLogP of 10.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine is sourced from PubChem (CID 146549517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).