2-(3-methylphenyl)-4-phenyl-6-spiro[benzo[c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine

C51H33N3O — CID 134571402

IUPAC2-(3-methylphenyl)-4-phenyl-6-spiro[benzo[c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
SMILESCc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5c3ccc3ccccc53)c3ccccc3-c3ccccc3-4)n2)c1
InChIInChI=1S/C51H33N3O/c1-32-14-13-18-35(30-32)49-52-48(34-16-3-2-4-17-34)53-50(54-49)36-26-28-41-39-21-8-7-20-38(39)40-22-9-10-23-42(40)51(45(41)31-36)43-24-11-12-25-46(43)55-47-37-19-6-5-15-33(37)27-29-44(47)51/h2-31H,1H3
InChIKeyNXPXSWDEKZNIPL-UHFFFAOYSA-N
MW703.85 g/mol
LogP12.47
Rot. Bonds3

About 2-(3-methylphenyl)-4-phenyl-6-spiro[benzo[c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine

2-(3-methylphenyl)-4-phenyl-6-spiro[benzo[c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine (PubChem CID 134571402) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-phenyl-6-spiro[benzo[c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-phenyl-6-spiro[benzo[c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
PubChem CID134571402
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name2-(3-methylphenyl)-4-phenyl-6-spiro[benzo[c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
SMILESCc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5c3ccc3ccccc53)c3ccccc3-c3ccccc3-4)n2)c1
InChIInChI=1S/C51H33N3O/c1-32-14-13-18-35(30-32)49-52-48(34-16-3-2-4-17-34)53-50(54-49)36-26-28-41-39-21-8-7-20-38(39)40-22-9-10-23-42(40)51(45(41)31-36)43-24-11-12-25-46(43)55-47-37-19-6-5-15-33(37)27-29-44(47)51/h2-31H,1H3
InChIKeyNXPXSWDEKZNIPL-UHFFFAOYSA-N
XLogP12.47
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-methylphenyl)-4-phenyl-6-spiro[benzo[c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine with MolForge

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Related Compounds

4-phenyl-2-(4-phenylphenyl)-6-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylpyrimidine
CID 139306382
2-(5-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)-4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 139376539
4-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine
CID 155054785
4-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine
CID 155054872
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-(3-methylphenyl)-4-phenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 134573599
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 129263263
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-phenanthren-2-yl-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 130379619
4,6-diphenyl-2-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)pyrimidine
CID 139306402
CID 146184431
CID 146184431
2'-(9,9'-spirobi[fluorene]-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]
CID 170034318

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-phenyl-6-spiro[benzo[c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine?
The IUPAC name of 2-(3-methylphenyl)-4-phenyl-6-spiro[benzo[c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine (CID 134571402) is 2-(3-methylphenyl)-4-phenyl-6-spiro[benzo[c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine.
What is the SMILES notation for 2-(3-methylphenyl)-4-phenyl-6-spiro[benzo[c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine?
The canonical SMILES for 2-(3-methylphenyl)-4-phenyl-6-spiro[benzo[c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine is Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5c3ccc3ccccc53)c3ccccc3-c3ccccc3-4)n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-4-phenyl-6-spiro[benzo[c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine?
The InChIKey is NXPXSWDEKZNIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-32-14-13-18-35(30-32)49-52-48(34-16-3-2-4-17-34)53-50(54-49)36-26-28-41-39-21-8-7-20-38(39)40-22-9-10-23-42(40)51(45(41)31-36)43-24-11-12-25-46(43)55-47-37-19-6-5-15-33(37)27-29-44(47)51/h2-31H,1H3.
What are the key properties of 2-(3-methylphenyl)-4-phenyl-6-spiro[benzo[c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine?
2-(3-methylphenyl)-4-phenyl-6-spiro[benzo[c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine has a molecular weight of 703.85 g/mol, XLogP of 12.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-phenyl-6-spiro[benzo[c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine is sourced from PubChem (CID 134571402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).