2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinazoline

C48H29N5O — CID 153297813

IUPAC2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinazoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3cccc(-c5ncc6ccccc6n5)c3-4)n2)cc1
InChIInChI=1S/C48H29N5O/c1-3-15-30(16-4-1)44-51-45(31-17-5-2-6-18-31)53-47(52-44)35-22-13-20-33-42-34(46-49-29-32-19-7-10-26-39(32)50-46)21-14-25-38(42)48(43(33)35)36-23-8-11-27-40(36)54-41-28-12-9-24-37(41)48/h1-29H
InChIKeyRYDSXLWUMMNRFS-UHFFFAOYSA-N
MW691.79 g/mol
LogP10.95
Rot. Bonds4

About 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinazoline

2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinazoline (PubChem CID 153297813) has the molecular formula C48H29N5O and a molecular weight of 691.79 g/mol. Its IUPAC name is 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinazoline.

Molecular Properties

Compound Name2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinazoline
PubChem CID153297813
Molecular FormulaC48H29N5O
Molecular Weight691.79 g/mol
Exact Mass691.24
IUPAC Name2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinazoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3cccc(-c5ncc6ccccc6n5)c3-4)n2)cc1
InChIInChI=1S/C48H29N5O/c1-3-15-30(16-4-1)44-51-45(31-17-5-2-6-18-31)53-47(52-44)35-22-13-20-33-42-34(46-49-29-32-19-7-10-26-39(32)50-46)21-14-25-38(42)48(43(33)35)36-23-8-11-27-40(36)54-41-28-12-9-24-37(41)48/h1-29H
InChIKeyRYDSXLWUMMNRFS-UHFFFAOYSA-N
XLogP10.95
TPSA73.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.79
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole
CID 146985537
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine
CID 153297757
2-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzoxazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinazoline
CID 161072502
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326888
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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 147868110
4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
CID 139306525
2-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297864
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-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326904
4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
CID 139306839

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinazoline?
The IUPAC name of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinazoline (CID 153297813) is 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinazoline.
What is the SMILES notation for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinazoline?
The canonical SMILES for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinazoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3cccc(-c5ncc6ccccc6n5)c3-4)n2)cc1.
What is the InChIKey of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinazoline?
The InChIKey is RYDSXLWUMMNRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5O/c1-3-15-30(16-4-1)44-51-45(31-17-5-2-6-18-31)53-47(52-44)35-22-13-20-33-42-34(46-49-29-32-19-7-10-26-39(32)50-46)21-14-25-38(42)48(43(33)35)36-23-8-11-27-40(36)54-41-28-12-9-24-37(41)48/h1-29H.
What are the key properties of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinazoline?
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinazoline has a molecular weight of 691.79 g/mol, XLogP of 10.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinazoline is sourced from PubChem (CID 153297813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).