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

C51H32N4O — CID 167178163

IUPAC2-phenyl-4-(4-phenylphenyl)-6-(7-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6ccncc6)ccc4-5)n3)cc2)cc1
InChIInChI=1S/C51H32N4O/c1-3-11-33(12-4-1)34-19-21-37(22-20-34)49-53-48(36-13-5-2-6-14-36)54-50(55-49)39-24-26-41-40-25-23-38(35-27-29-52-30-28-35)31-44(40)51(45(41)32-39)42-15-7-9-17-46(42)56-47-18-10-8-16-43(47)51/h1-32H
InChIKeyDGZNYABEACEQRG-UHFFFAOYSA-N
MW716.84 g/mol
LogP12.07
Rot. Bonds5

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

2-phenyl-4-(4-phenylphenyl)-6-(7-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine (PubChem CID 167178163) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-(7-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-(7-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
PubChem CID167178163
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-(7-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6ccncc6)ccc4-5)n3)cc2)cc1
InChIInChI=1S/C51H32N4O/c1-3-11-33(12-4-1)34-19-21-37(22-20-34)49-53-48(36-13-5-2-6-14-36)54-50(55-49)39-24-26-41-40-25-23-38(35-27-29-52-30-28-35)31-44(40)51(45(41)32-39)42-15-7-9-17-46(42)56-47-18-10-8-16-43(47)51/h1-32H
InChIKeyDGZNYABEACEQRG-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-[7-(2,6-dipyridin-4-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 164793165
2,4-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
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
2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine
CID 167177935
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
2,4-diphenyl-6-[3-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,3,5-triazine
CID 164793285
2-phenyl-4-[4-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 139306583
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-(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-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
CID 146549517
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(7-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(7-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine (CID 167178163) is 2-phenyl-4-(4-phenylphenyl)-6-(7-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-(7-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-(7-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6ccncc6)ccc4-5)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-(7-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine?
The InChIKey is DGZNYABEACEQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-3-11-33(12-4-1)34-19-21-37(22-20-34)49-53-48(36-13-5-2-6-14-36)54-50(55-49)39-24-26-41-40-25-23-38(35-27-29-52-30-28-35)31-44(40)51(45(41)32-39)42-15-7-9-17-46(42)56-47-18-10-8-16-43(47)51/h1-32H.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-(7-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine?
2-phenyl-4-(4-phenylphenyl)-6-(7-pyridin-4-ylspiro[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-phenylphenyl)-6-(7-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine is sourced from PubChem (CID 167178163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).