2-cyclohexa-1,3-dien-1-yl-4-(9-cyclohexa-2,4-dien-1-yl-9-cyclohexyl-1,8a,9a,10a-tetrahydroxanthen-4-yl)-6-(10-cyclohex-2-en-1-yl-10-phenyl-2,4a,5,9,9a,10a-hexahydro-1H-anthracen-1-yl)-1,3,5-triazine

C60H65N3O — CID 166943384

IUPAC2-cyclohexa-1,3-dien-1-yl-4-(9-cyclohexa-2,4-dien-1-yl-9-cyclohexyl-1,8a,9a,10a-tetrahydroxanthen-4-yl)-6-(10-cyclohex-2-en-1-yl-10-phenyl-2,4a,5,9,9a,10a-hexahydro-1H-anthracen-1-yl)-1,3,5-triazine
SMILESC1=CCCC(c2nc(C3=C4OC5C=CC=CC5C(C5C=CC=CC5)(C5CCCCC5)C4CC=C3)nc(C3CC=CC4C3CC3=CC=CCC3C4(c3ccccc3)C3C=CCCC3)n2)=C1
InChIInChI=1S/C60H65N3O/c1-6-22-41(23-7-1)56-61-57(47-33-20-37-51-49(47)40-42-24-16-17-35-50(42)59(51,43-25-8-2-9-26-43)44-27-10-3-11-28-44)63-58(62-56)48-34-21-38-53-55(48)64-54-39-19-18-36-52(54)60(53,45-29-12-4-13-30-45)46-31-14-5-15-32-46/h1-2,4,6,8-10,12-13,16-22,24-27,29,34,36-37,39,44-47,49-54H,3,5,7,11,14-15,23,28,30-33,35,38,40H2
InChIKeyORUCVTFQISAMBC-UHFFFAOYSA-N
MW844.20 g/mol
LogP14.21
Rot. Bonds7

About 2-cyclohexa-1,3-dien-1-yl-4-(9-cyclohexa-2,4-dien-1-yl-9-cyclohexyl-1,8a,9a,10a-tetrahydroxanthen-4-yl)-6-(10-cyclohex-2-en-1-yl-10-phenyl-2,4a,5,9,9a,10a-hexahydro-1H-anthracen-1-yl)-1,3,5-triazine

2-cyclohexa-1,3-dien-1-yl-4-(9-cyclohexa-2,4-dien-1-yl-9-cyclohexyl-1,8a,9a,10a-tetrahydroxanthen-4-yl)-6-(10-cyclohex-2-en-1-yl-10-phenyl-2,4a,5,9,9a,10a-hexahydro-1H-anthracen-1-yl)-1,3,5-triazine (PubChem CID 166943384) has the molecular formula C60H65N3O and a molecular weight of 844.20 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-4-(9-cyclohexa-2,4-dien-1-yl-9-cyclohexyl-1,8a,9a,10a-tetrahydroxanthen-4-yl)-6-(10-cyclohex-2-en-1-yl-10-phenyl-2,4a,5,9,9a,10a-hexahydro-1H-anthracen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-4-(9-cyclohexa-2,4-dien-1-yl-9-cyclohexyl-1,8a,9a,10a-tetrahydroxanthen-4-yl)-6-(10-cyclohex-2-en-1-yl-10-phenyl-2,4a,5,9,9a,10a-hexahydro-1H-anthracen-1-yl)-1,3,5-triazine
PubChem CID166943384
Molecular FormulaC60H65N3O
Molecular Weight844.20 g/mol
Exact Mass843.51
IUPAC Name2-cyclohexa-1,3-dien-1-yl-4-(9-cyclohexa-2,4-dien-1-yl-9-cyclohexyl-1,8a,9a,10a-tetrahydroxanthen-4-yl)-6-(10-cyclohex-2-en-1-yl-10-phenyl-2,4a,5,9,9a,10a-hexahydro-1H-anthracen-1-yl)-1,3,5-triazine
SMILESC1=CCCC(c2nc(C3=C4OC5C=CC=CC5C(C5C=CC=CC5)(C5CCCCC5)C4CC=C3)nc(C3CC=CC4C3CC3=CC=CCC3C4(c3ccccc3)C3C=CCCC3)n2)=C1
InChIInChI=1S/C60H65N3O/c1-6-22-41(23-7-1)56-61-57(47-33-20-37-51-49(47)40-42-24-16-17-35-50(42)59(51,43-25-8-2-9-26-43)44-27-10-3-11-28-44)63-58(62-56)48-34-21-38-53-55(48)64-54-39-19-18-36-52(54)60(53,45-29-12-4-13-30-45)46-31-14-5-15-32-46/h1-2,4,6,8-10,12-13,16-22,24-27,29,34,36-37,39,44-47,49-54H,3,5,7,11,14-15,23,28,30-33,35,38,40H2
InChIKeyORUCVTFQISAMBC-UHFFFAOYSA-N
XLogP14.21
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.20
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-cyclohexa-1,3-dien-1-yl-4-(9-cyclohexa-2,4-dien-1-yl-9-cyclohexyl-1,8a,9a,10a-tetrahydroxanthen-4-yl)-6-(10-cyclohex-2-en-1-yl-10-phenyl-2,4a,5,9,9a,10a-hexahydro-1H-anthracen-1-yl)-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-(4a,8a-dihydronaphthalen-1-yl)-4-[3-[(10aR)-9-phenyl-1,2,3,7,8,8a,9a,10a-octahydroxanthen-9-yl]cyclohex-2-en-1-yl]-6-cyclohexa-1,3-dien-1-yl-1,3,5-triazine
CID 138636321
4-[7'-[4-(4-Cyclohexa-1,5-dien-1-yl-6-cyclohex-3-en-1-yl-1,3,5-triazin-2-yl)cyclohexyl]spiro[1,2,5,6,7,8-hexahydrofluorene-9,9'-2,3,5,6,8a,10a-hexahydroxanthene]-2-yl]benzonitrile
CID 139477036
2-[5-(1,2,3,6,7,9b-Hexahydrodibenzofuran-2-yl)-4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazine
CID 146646672
2,4-Di(cyclohexa-2,4-dien-1-yl)-6-[7-[4-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)phenyl]-2,7-dihydrooxepin-4-yl]-1,3,5-triazine
CID 152804782
2-Cyclohexa-2,4-dien-1-yl-4-(4-phenylphenyl)-6-spiro[4a,6,7,9a-tetrahydroxanthene-9,9'-fluorene]-4-yl-1,3,5-triazine
CID 155442553
2-(3-Cyclohexa-1,3-dien-1-ylphenyl)-4-(3-phenylphenyl)-6-(2-spiro[3,4,5,10a-tetrahydroxanthene-9,9'-fluorene]-4-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
CID 155442658
2-(3-Cyclohexa-1,3-dien-1-ylphenyl)-4-(5-phenylcyclohexa-2,4-dien-1-yl)-6-(2-spiro[3,4,5,10a-tetrahydroxanthene-9,9'-fluorene]-4-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
CID 155442959
2-Cyclohexa-1,5-dien-1-yl-4-(4-cyclohexa-2,4-dien-1-ylnaphthalen-1-yl)-6-(2-spiro[3,4,5,10a-tetrahydroxanthene-9,9'-fluorene]-4-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
CID 155443409
2-cyclohexa-1,5-dien-1-yl-4-(6H-phenalen-2-yl)-6-(2-spiro[3,4,5,10a-tetrahydroxanthene-9,9'-fluorene]-4-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
CID 155443411
2-[5-[3-[2-[(3Z,6E)-3-ethylidene-4-methyl-6-[(2Z)-penta-2,4-dienylidene]pyran-2-yl]ethyl]phenyl]cyclohexa-1,3-dien-1-yl]-4-[(2E)-hepta-2,6-dien-2-yl]-6-phenyl-1,3,5-triazine
CID 156490296
2-(5,6-Dihydronaphthalen-2-yl)-4-phenyl-6-(4-spiro[4a,6,7,9a-tetrahydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine
CID 163698650
2-(6,9b-dihydro-3aH-phenalen-2-yl)-4-[2-(9,9-dimethyl-4a,5,9a,10a-tetrahydroxanthen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 163916962

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-(9-cyclohexa-2,4-dien-1-yl-9-cyclohexyl-1,8a,9a,10a-tetrahydroxanthen-4-yl)-6-(10-cyclohex-2-en-1-yl-10-phenyl-2,4a,5,9,9a,10a-hexahydro-1H-anthracen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-(9-cyclohexa-2,4-dien-1-yl-9-cyclohexyl-1,8a,9a,10a-tetrahydroxanthen-4-yl)-6-(10-cyclohex-2-en-1-yl-10-phenyl-2,4a,5,9,9a,10a-hexahydro-1H-anthracen-1-yl)-1,3,5-triazine (CID 166943384) is 2-cyclohexa-1,3-dien-1-yl-4-(9-cyclohexa-2,4-dien-1-yl-9-cyclohexyl-1,8a,9a,10a-tetrahydroxanthen-4-yl)-6-(10-cyclohex-2-en-1-yl-10-phenyl-2,4a,5,9,9a,10a-hexahydro-1H-anthracen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-4-(9-cyclohexa-2,4-dien-1-yl-9-cyclohexyl-1,8a,9a,10a-tetrahydroxanthen-4-yl)-6-(10-cyclohex-2-en-1-yl-10-phenyl-2,4a,5,9,9a,10a-hexahydro-1H-anthracen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-4-(9-cyclohexa-2,4-dien-1-yl-9-cyclohexyl-1,8a,9a,10a-tetrahydroxanthen-4-yl)-6-(10-cyclohex-2-en-1-yl-10-phenyl-2,4a,5,9,9a,10a-hexahydro-1H-anthracen-1-yl)-1,3,5-triazine is C1=CCCC(c2nc(C3=C4OC5C=CC=CC5C(C5C=CC=CC5)(C5CCCCC5)C4CC=C3)nc(C3CC=CC4C3CC3=CC=CCC3C4(c3ccccc3)C3C=CCCC3)n2)=C1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-4-(9-cyclohexa-2,4-dien-1-yl-9-cyclohexyl-1,8a,9a,10a-tetrahydroxanthen-4-yl)-6-(10-cyclohex-2-en-1-yl-10-phenyl-2,4a,5,9,9a,10a-hexahydro-1H-anthracen-1-yl)-1,3,5-triazine?
The InChIKey is ORUCVTFQISAMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H65N3O/c1-6-22-41(23-7-1)56-61-57(47-33-20-37-51-49(47)40-42-24-16-17-35-50(42)59(51,43-25-8-2-9-26-43)44-27-10-3-11-28-44)63-58(62-56)48-34-21-38-53-55(48)64-54-39-19-18-36-52(54)60(53,45-29-12-4-13-30-45)46-31-14-5-15-32-46/h1-2,4,6,8-10,12-13,16-22,24-27,29,34,36-37,39,44-47,49-54H,3,5,7,11,14-15,23,28,30-33,35,38,40H2.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-4-(9-cyclohexa-2,4-dien-1-yl-9-cyclohexyl-1,8a,9a,10a-tetrahydroxanthen-4-yl)-6-(10-cyclohex-2-en-1-yl-10-phenyl-2,4a,5,9,9a,10a-hexahydro-1H-anthracen-1-yl)-1,3,5-triazine?
2-cyclohexa-1,3-dien-1-yl-4-(9-cyclohexa-2,4-dien-1-yl-9-cyclohexyl-1,8a,9a,10a-tetrahydroxanthen-4-yl)-6-(10-cyclohex-2-en-1-yl-10-phenyl-2,4a,5,9,9a,10a-hexahydro-1H-anthracen-1-yl)-1,3,5-triazine has a molecular weight of 844.20 g/mol, XLogP of 14.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-4-(9-cyclohexa-2,4-dien-1-yl-9-cyclohexyl-1,8a,9a,10a-tetrahydroxanthen-4-yl)-6-(10-cyclohex-2-en-1-yl-10-phenyl-2,4a,5,9,9a,10a-hexahydro-1H-anthracen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 166943384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).