(Z)-N-[[3-[4-(9,9-dimethylxanthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]methyl]-N'-methylidene-3-phenyl-1-(3-phenylphenyl)prop-2-ene-1,3-diimine

C53H41N5O — CID 174266519

IUPAC(Z)-N-[[3-[4-(9,9-dimethylxanthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]methyl]-N'-methylidene-3-phenyl-1-(3-phenylphenyl)prop-2-ene-1,3-diimine
SMILESC=N/C(=C\C(=N/Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Oc3ccccc3C4(C)C)n2)c1)c1cccc(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C53H41N5O/c1-53(2)44-27-13-14-28-48(44)59-49-33-43(29-30-45(49)53)52-57-50(39-22-11-6-12-23-39)56-51(58-52)42-26-15-17-36(31-42)35-55-47(34-46(54-3)38-20-9-5-10-21-38)41-25-16-24-40(32-41)37-18-7-4-8-19-37/h4-34H,3,35H2,1-2H3/b46-34-,55-47+
InChIKeyGTYFQDPSWAPFEN-YROUIMFCSA-N
MW763.95 g/mol
LogP12.70
Rot. Bonds10

About (Z)-N-[[3-[4-(9,9-dimethylxanthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]methyl]-N'-methylidene-3-phenyl-1-(3-phenylphenyl)prop-2-ene-1,3-diimine

(Z)-N-[[3-[4-(9,9-dimethylxanthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]methyl]-N'-methylidene-3-phenyl-1-(3-phenylphenyl)prop-2-ene-1,3-diimine (PubChem CID 174266519) has the molecular formula C53H41N5O and a molecular weight of 763.95 g/mol. Its IUPAC name is (Z)-N-[[3-[4-(9,9-dimethylxanthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]methyl]-N'-methylidene-3-phenyl-1-(3-phenylphenyl)prop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-N-[[3-[4-(9,9-dimethylxanthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]methyl]-N'-methylidene-3-phenyl-1-(3-phenylphenyl)prop-2-ene-1,3-diimine
PubChem CID174266519
Molecular FormulaC53H41N5O
Molecular Weight763.95 g/mol
Exact Mass763.33
IUPAC Name(Z)-N-[[3-[4-(9,9-dimethylxanthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]methyl]-N'-methylidene-3-phenyl-1-(3-phenylphenyl)prop-2-ene-1,3-diimine
SMILESC=N/C(=C\C(=N/Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Oc3ccccc3C4(C)C)n2)c1)c1cccc(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C53H41N5O/c1-53(2)44-27-13-14-28-48(44)59-49-33-43(29-30-45(49)53)52-57-50(39-22-11-6-12-23-39)56-51(58-52)42-26-15-17-36(31-42)35-55-47(34-46(54-3)38-20-9-5-10-21-38)41-25-16-24-40(32-41)37-18-7-4-8-19-37/h4-34H,3,35H2,1-2H3/b46-34-,55-47+
InChIKeyGTYFQDPSWAPFEN-YROUIMFCSA-N
XLogP12.70
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.95
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-N-[[3-[4-(9,9-dimethylxanthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]methyl]-N'-methylidene-3-phenyl-1-(3-phenylphenyl)prop-2-ene-1,3-diimine with MolForge

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 140947408
2-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138573640
2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146388734
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138575887
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138575760
2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163752152
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
2-[3-(9,9-dimethylxanthen-3-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 166908479
2-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-4,6-diphenyl-1,3,5-triazine
CID 138573631
2-(9,9-dimethylfluoren-3-yl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164936930
2,4-diphenyl-6-[2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 160865421
2-[4-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146388551

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[3-[4-(9,9-dimethylxanthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]methyl]-N'-methylidene-3-phenyl-1-(3-phenylphenyl)prop-2-ene-1,3-diimine?
The IUPAC name of (Z)-N-[[3-[4-(9,9-dimethylxanthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]methyl]-N'-methylidene-3-phenyl-1-(3-phenylphenyl)prop-2-ene-1,3-diimine (CID 174266519) is (Z)-N-[[3-[4-(9,9-dimethylxanthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]methyl]-N'-methylidene-3-phenyl-1-(3-phenylphenyl)prop-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-N-[[3-[4-(9,9-dimethylxanthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]methyl]-N'-methylidene-3-phenyl-1-(3-phenylphenyl)prop-2-ene-1,3-diimine?
The canonical SMILES for (Z)-N-[[3-[4-(9,9-dimethylxanthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]methyl]-N'-methylidene-3-phenyl-1-(3-phenylphenyl)prop-2-ene-1,3-diimine is C=N/C(=C\C(=N/Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Oc3ccccc3C4(C)C)n2)c1)c1cccc(-c2ccccc2)c1)c1ccccc1.
What is the InChIKey of (Z)-N-[[3-[4-(9,9-dimethylxanthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]methyl]-N'-methylidene-3-phenyl-1-(3-phenylphenyl)prop-2-ene-1,3-diimine?
The InChIKey is GTYFQDPSWAPFEN-YROUIMFCSA-N. The full InChI is InChI=1S/C53H41N5O/c1-53(2)44-27-13-14-28-48(44)59-49-33-43(29-30-45(49)53)52-57-50(39-22-11-6-12-23-39)56-51(58-52)42-26-15-17-36(31-42)35-55-47(34-46(54-3)38-20-9-5-10-21-38)41-25-16-24-40(32-41)37-18-7-4-8-19-37/h4-34H,3,35H2,1-2H3/b46-34-,55-47+.
What are the key properties of (Z)-N-[[3-[4-(9,9-dimethylxanthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]methyl]-N'-methylidene-3-phenyl-1-(3-phenylphenyl)prop-2-ene-1,3-diimine?
(Z)-N-[[3-[4-(9,9-dimethylxanthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]methyl]-N'-methylidene-3-phenyl-1-(3-phenylphenyl)prop-2-ene-1,3-diimine has a molecular weight of 763.95 g/mol, XLogP of 12.70, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[3-[4-(9,9-dimethylxanthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]methyl]-N'-methylidene-3-phenyl-1-(3-phenylphenyl)prop-2-ene-1,3-diimine is sourced from PubChem (CID 174266519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).