5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]

C43H26N4O — CID 168854982

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3nc4c(c5ccccc35)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)n2)cc1
InChIInChI=1S/C43H26N4O/c1-3-15-27(16-4-1)40-45-41(28-17-5-2-6-18-28)47-42(46-40)39-30-20-8-7-19-29(30)37-38(44-39)31-21-9-10-22-32(31)43(37)33-23-11-13-25-35(33)48-36-26-14-12-24-34(36)43/h1-26H
InChIKeyPZEXEOHKTSDLNA-UHFFFAOYSA-N
MW614.71 g/mol
LogP9.89
Rot. Bonds3

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]

5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene] (PubChem CID 168854982) has the molecular formula C43H26N4O and a molecular weight of 614.71 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene].

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]
PubChem CID168854982
Molecular FormulaC43H26N4O
Molecular Weight614.71 g/mol
Exact Mass614.21
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3nc4c(c5ccccc35)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)n2)cc1
InChIInChI=1S/C43H26N4O/c1-3-15-27(16-4-1)40-45-41(28-17-5-2-6-18-28)47-42(46-40)39-30-20-8-7-19-29(30)37-38(44-39)31-21-9-10-22-32(31)43(37)33-23-11-13-25-35(33)48-36-26-14-12-24-34(36)43/h1-26H
InChIKeyPZEXEOHKTSDLNA-UHFFFAOYSA-N
XLogP9.89
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.71
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene] with MolForge

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Related Compounds

2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine
CID 168854945
5-phenyl-2'-(3-triphenylen-2-ylphenyl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]
CID 168855220
5'-(2-phenylquinazolin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 168855192
5'-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 168855115
5'-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 168855083
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-1'-ylphenyl)-1,3,5-triazine
CID 130379537
2,4-diphenyl-6-[3-(5-phenylspiro[benzo[a]fluorene-11,9'-xanthene]-4'-yl)phenyl]-1,3,5-triazine
CID 168855114
2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297786
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326888
2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 149001752
2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326904
4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
CID 139306525

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene] (CID 168854982) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene].
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene] is c1ccc(-c2nc(-c3ccccc3)nc(-c3nc4c(c5ccccc35)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)n2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]?
The InChIKey is PZEXEOHKTSDLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O/c1-3-15-27(16-4-1)40-45-41(28-17-5-2-6-18-28)47-42(46-40)39-30-20-8-7-19-29(30)37-38(44-39)31-21-9-10-22-32(31)43(37)33-23-11-13-25-35(33)48-36-26-14-12-24-34(36)43/h1-26H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene] has a molecular weight of 614.71 g/mol, XLogP of 9.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene] is sourced from PubChem (CID 168854982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).