2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine

C135H86N10O2S — CID 158553292

IUPAC2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)Cc4ccccc4C54c5ccccc5-c5ccccc54)o3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)Cc4ccccc4C54c5ccccc5-c5ccccc54)s3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccnc3-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C45H28N4O.C45H29N3O.C45H29N3S/c1-3-14-29(15-4-1)42-47-43(30-16-5-2-6-17-30)49-44(48-42)34-20-13-27-46-41(34)31-25-26-38-40(28-31)50-39-24-12-11-23-37(39)45(38)35-21-9-7-18-32(35)33-19-8-10-22-36(33)45;2*1-3-13-29(14-4-1)42-46-43(30-15-5-2-6-16-30)48-44(47-42)41-26-25-40(49-41)32-23-24-37-33(28-32)27-31-17-7-10-20-36(31)45(37)38-21-11-8-18-34(38)35-19-9-12-22-39(35)45/h1-28H;2*1-26,28H,27H2
InChIKeyHPZBNUCCOQFEQK-UHFFFAOYSA-N
MW1912.31 g/mol
LogP31.67
Rot. Bonds12

About 2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine

2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine (PubChem CID 158553292) has the molecular formula C135H86N10O2S and a molecular weight of 1912.31 g/mol. Its IUPAC name is 2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine
PubChem CID158553292
Molecular FormulaC135H86N10O2S
Molecular Weight1912.31 g/mol
Exact Mass1910.67
IUPAC Name2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)Cc4ccccc4C54c5ccccc5-c5ccccc54)o3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)Cc4ccccc4C54c5ccccc5-c5ccccc54)s3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccnc3-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C45H28N4O.C45H29N3O.C45H29N3S/c1-3-14-29(15-4-1)42-47-43(30-16-5-2-6-17-30)49-44(48-42)34-20-13-27-46-41(34)31-25-26-38-40(28-31)50-39-24-12-11-23-37(39)45(38)35-21-9-7-18-32(35)33-19-8-10-22-36(33)45;2*1-3-13-29(14-4-1)42-46-43(30-15-5-2-6-16-30)48-44(47-42)41-26-25-40(49-41)32-23-24-37-33(28-32)27-31-17-7-10-20-36(31)45(37)38-21-11-8-18-34(38)35-19-9-12-22-39(35)45/h1-28H;2*1-26,28H,27H2
InChIKeyHPZBNUCCOQFEQK-UHFFFAOYSA-N
XLogP31.67
TPSA151.27 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms148
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001912.31
LogP ≤ 531.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine (CID 158553292) is 2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)Cc4ccccc4C54c5ccccc5-c5ccccc54)o3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)Cc4ccccc4C54c5ccccc5-c5ccccc54)s3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccnc3-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine?
The InChIKey is HPZBNUCCOQFEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O.C45H29N3O.C45H29N3S/c1-3-14-29(15-4-1)42-47-43(30-16-5-2-6-17-30)49-44(48-42)34-20-13-27-46-41(34)31-25-26-38-40(28-31)50-39-24-12-11-23-37(39)45(38)35-21-9-7-18-32(35)33-19-8-10-22-36(33)45;2*1-3-13-29(14-4-1)42-46-43(30-15-5-2-6-16-30)48-44(47-42)41-26-25-40(49-41)32-23-24-37-33(28-32)27-31-17-7-10-20-36(31)45(37)38-21-11-8-18-34(38)35-19-9-12-22-39(35)45/h1-28H;2*1-26,28H,27H2.
What are the key properties of 2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine?
2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine has a molecular weight of 1912.31 g/mol, XLogP of 31.67, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 158553292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).