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

C48H29N5O — CID 149084502

IUPAC2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoxaline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccc(-c5cnc6ccccc6n5)cc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C48H29N5O/c1-3-13-30(14-4-1)45-51-46(31-15-5-2-6-16-31)53-47(52-45)33-24-26-36-35(27-33)34-25-23-32(42-29-49-40-19-9-10-20-41(40)50-42)28-39(34)48(36)37-17-7-11-21-43(37)54-44-22-12-8-18-38(44)48/h1-29H
InChIKeyQQZFNILJEZTFGW-UHFFFAOYSA-N
MW691.79 g/mol
LogP10.95
Rot. Bonds4

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

2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoxaline (PubChem CID 149084502) has the molecular formula C48H29N5O and a molecular weight of 691.79 g/mol. Its IUPAC name is 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoxaline.

Molecular Properties

Compound Name2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoxaline
PubChem CID149084502
Molecular FormulaC48H29N5O
Molecular Weight691.79 g/mol
Exact Mass691.24
IUPAC Name2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoxaline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccc(-c5cnc6ccccc6n5)cc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C48H29N5O/c1-3-13-30(14-4-1)45-51-46(31-15-5-2-6-16-31)53-47(52-45)33-24-26-36-35(27-33)34-25-23-32(42-29-49-40-19-9-10-20-41(40)50-42)28-39(34)48(36)37-17-7-11-21-43(37)54-44-22-12-8-18-38(44)48/h1-29H
InChIKeyQQZFNILJEZTFGW-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-[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-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297722
2-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297762
2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine
CID 154596947
2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 163776996
2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
CID 146549517
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 129263263
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
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316
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-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-phenyl-4-[4-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 139306583

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoxaline?
The IUPAC name of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoxaline (CID 149084502) is 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoxaline.
What is the SMILES notation for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoxaline?
The canonical SMILES for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoxaline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccc(-c5cnc6ccccc6n5)cc3C43c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoxaline?
The InChIKey is QQZFNILJEZTFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5O/c1-3-13-30(14-4-1)45-51-46(31-15-5-2-6-16-31)53-47(52-45)33-24-26-36-35(27-33)34-25-23-32(42-29-49-40-19-9-10-20-41(40)50-42)28-39(34)48(36)37-17-7-11-21-43(37)54-44-22-12-8-18-38(44)48/h1-29H.
What are the key properties of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoxaline?
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoxaline 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-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoxaline is sourced from PubChem (CID 149084502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).