2-(5,6-dihydronaphthalen-1-yl)-1-methyl-6-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-2H-1,3,5-triazine

C51H37N3O — CID 130379106

IUPAC2-(5,6-dihydronaphthalen-1-yl)-1-methyl-6-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-2H-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2cccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)=NC1c1cccc2c1C=CCC2
InChIInChI=1S/C51H37N3O/c1-54-49(34-16-3-2-4-17-34)52-48(53-50(54)41-24-14-18-33-15-5-6-21-38(33)41)37-20-13-19-35(31-37)36-29-30-45-47(32-36)55-46-28-12-11-27-44(46)51(45)42-25-9-7-22-39(42)40-23-8-10-26-43(40)51/h2-4,6-14,16-32,50H,5,15H2,1H3
InChIKeyZVRVGVXMCHQPJS-UHFFFAOYSA-N
MW707.88 g/mol
LogP11.62
Rot. Bonds4

About 2-(5,6-dihydronaphthalen-1-yl)-1-methyl-6-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-2H-1,3,5-triazine

2-(5,6-dihydronaphthalen-1-yl)-1-methyl-6-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-2H-1,3,5-triazine (PubChem CID 130379106) has the molecular formula C51H37N3O and a molecular weight of 707.88 g/mol. Its IUPAC name is 2-(5,6-dihydronaphthalen-1-yl)-1-methyl-6-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-2H-1,3,5-triazine.

Molecular Properties

Compound Name2-(5,6-dihydronaphthalen-1-yl)-1-methyl-6-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-2H-1,3,5-triazine
PubChem CID130379106
Molecular FormulaC51H37N3O
Molecular Weight707.88 g/mol
Exact Mass707.29
IUPAC Name2-(5,6-dihydronaphthalen-1-yl)-1-methyl-6-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-2H-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2cccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)=NC1c1cccc2c1C=CCC2
InChIInChI=1S/C51H37N3O/c1-54-49(34-16-3-2-4-17-34)52-48(53-50(54)41-24-14-18-33-15-5-6-21-38(33)41)37-20-13-19-35(31-37)36-29-30-45-47(32-36)55-46-28-12-11-27-44(46)51(45)42-25-9-7-22-39(42)40-23-8-10-26-43(40)51/h2-4,6-14,16-32,50H,5,15H2,1H3
InChIKeyZVRVGVXMCHQPJS-UHFFFAOYSA-N
XLogP11.62
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.88
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[difluoro-(3-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)methyl]phenyl]-1-methyl-2,6-diphenyl-2H-1,3,5-triazine
CID 135247209
2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389233
9-[4-[1-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2H-1,3,5-triazin-4-yl]phenyl]carbazole
CID 130379575
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 137389231
1-methyl-2-phenyl-4-(2-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2H-pyrimidine
CID 130379770
3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177299104
10-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]-3,4-dihydrophenoxazine
CID 170424854
4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
2-[4-[4-[1-methyl-7'-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-yl]phenyl]phenyl]-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 155442466
2-phenyl-5-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,4-oxadiazole
CID 140947158

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydronaphthalen-1-yl)-1-methyl-6-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-2H-1,3,5-triazine?
The IUPAC name of 2-(5,6-dihydronaphthalen-1-yl)-1-methyl-6-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-2H-1,3,5-triazine (CID 130379106) is 2-(5,6-dihydronaphthalen-1-yl)-1-methyl-6-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-2H-1,3,5-triazine.
What is the SMILES notation for 2-(5,6-dihydronaphthalen-1-yl)-1-methyl-6-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-2H-1,3,5-triazine?
The canonical SMILES for 2-(5,6-dihydronaphthalen-1-yl)-1-methyl-6-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-2H-1,3,5-triazine is CN1C(c2ccccc2)=NC(c2cccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)=NC1c1cccc2c1C=CCC2.
What is the InChIKey of 2-(5,6-dihydronaphthalen-1-yl)-1-methyl-6-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-2H-1,3,5-triazine?
The InChIKey is ZVRVGVXMCHQPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N3O/c1-54-49(34-16-3-2-4-17-34)52-48(53-50(54)41-24-14-18-33-15-5-6-21-38(33)41)37-20-13-19-35(31-37)36-29-30-45-47(32-36)55-46-28-12-11-27-44(46)51(45)42-25-9-7-22-39(42)40-23-8-10-26-43(40)51/h2-4,6-14,16-32,50H,5,15H2,1H3.
What are the key properties of 2-(5,6-dihydronaphthalen-1-yl)-1-methyl-6-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-2H-1,3,5-triazine?
2-(5,6-dihydronaphthalen-1-yl)-1-methyl-6-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-2H-1,3,5-triazine has a molecular weight of 707.88 g/mol, XLogP of 11.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydronaphthalen-1-yl)-1-methyl-6-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-2H-1,3,5-triazine is sourced from PubChem (CID 130379106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).