2-[6-(5,15-diphenylspiro[tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene-2,9'-xanthene]-9-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine

C67H45N3O2 — CID 123477866

IUPAC2-[6-(5,15-diphenylspiro[tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene-2,9'-xanthene]-9-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(-c4ccccc4)ccc2C(c2cccc4c2oc2c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc24)CC3)cc1
InChIInChI=1S/C67H45N3O2/c1-5-19-43(20-6-1)48-36-35-45-37-39-50(51-40-38-49(44-21-7-2-8-22-44)42-59(51)67(58(45)41-48)56-31-13-15-33-60(56)71-61-34-16-14-32-57(61)67)52-27-17-28-53-54-29-18-30-55(63(54)72-62(52)53)66-69-64(46-23-9-3-10-24-46)68-65(70-66)47-25-11-4-12-26-47/h1-36,38,40-42,50H,37,39H2
InChIKeyDXWADFAQHUDMFR-UHFFFAOYSA-N
MW924.12 g/mol
LogP16.67
Rot. Bonds6

About 2-[6-(5,15-diphenylspiro[tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene-2,9'-xanthene]-9-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine

2-[6-(5,15-diphenylspiro[tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene-2,9'-xanthene]-9-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 123477866) has the molecular formula C67H45N3O2 and a molecular weight of 924.12 g/mol. Its IUPAC name is 2-[6-(5,15-diphenylspiro[tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene-2,9'-xanthene]-9-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-(5,15-diphenylspiro[tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene-2,9'-xanthene]-9-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID123477866
Molecular FormulaC67H45N3O2
Molecular Weight924.12 g/mol
Exact Mass923.35
IUPAC Name2-[6-(5,15-diphenylspiro[tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene-2,9'-xanthene]-9-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(-c4ccccc4)ccc2C(c2cccc4c2oc2c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc24)CC3)cc1
InChIInChI=1S/C67H45N3O2/c1-5-19-43(20-6-1)48-36-35-45-37-39-50(51-40-38-49(44-21-7-2-8-22-44)42-59(51)67(58(45)41-48)56-31-13-15-33-60(56)71-61-34-16-14-32-57(61)67)52-27-17-28-53-54-29-18-30-55(63(54)72-62(52)53)66-69-64(46-23-9-3-10-24-46)68-65(70-66)47-25-11-4-12-26-47/h1-36,38,40-42,50H,37,39H2
InChIKeyDXWADFAQHUDMFR-UHFFFAOYSA-N
XLogP16.67
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.12
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[6-(5,15-diphenylspiro[tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene-2,9'-xanthene]-9-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-xanthene]
CID 121382487
2-(1-pentacyclo[7.6.6.02,7.010,15.016,21]henicosa-2,4,6,10,12,14,16,18,20-nonaenyl)-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 170722402
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 140947298
2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 167349084
2-dibenzofuran-4-yl-4-(7-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-4-yl)-6-phenyl-1,3,5-triazine
CID 154597028
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
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-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326888
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-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine
CID 167349465
2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine
CID 154596998
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5,15-diphenylspiro[tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene-2,9'-xanthene]-9-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[6-(5,15-diphenylspiro[tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene-2,9'-xanthene]-9-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine (CID 123477866) is 2-[6-(5,15-diphenylspiro[tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene-2,9'-xanthene]-9-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6-(5,15-diphenylspiro[tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene-2,9'-xanthene]-9-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[6-(5,15-diphenylspiro[tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene-2,9'-xanthene]-9-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(-c4ccccc4)ccc2C(c2cccc4c2oc2c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc24)CC3)cc1.
What is the InChIKey of 2-[6-(5,15-diphenylspiro[tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene-2,9'-xanthene]-9-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is DXWADFAQHUDMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45N3O2/c1-5-19-43(20-6-1)48-36-35-45-37-39-50(51-40-38-49(44-21-7-2-8-22-44)42-59(51)67(58(45)41-48)56-31-13-15-33-60(56)71-61-34-16-14-32-57(61)67)52-27-17-28-53-54-29-18-30-55(63(54)72-62(52)53)66-69-64(46-23-9-3-10-24-46)68-65(70-66)47-25-11-4-12-26-47/h1-36,38,40-42,50H,37,39H2.
What are the key properties of 2-[6-(5,15-diphenylspiro[tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene-2,9'-xanthene]-9-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
2-[6-(5,15-diphenylspiro[tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene-2,9'-xanthene]-9-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 924.12 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5,15-diphenylspiro[tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene-2,9'-xanthene]-9-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 123477866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).