8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[2,3-dihydroxanthene-9,9'-fluorene]-2-yl]-5-phenylquinoline

C55H36N4O — CID 146548005

IUPAC8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[2,3-dihydroxanthene-9,9'-fluorene]-2-yl]-5-phenylquinoline
SMILESC1=C2Oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3C3(C2=CC(c2ccc(-c4ccccc4)c4cccnc24)C1)c1ccccc1-c1ccccc13
InChIInChI=1S/C55H36N4O/c1-4-15-35(16-5-1)40-28-29-41(51-44(40)23-14-32-56-51)38-26-30-49-47(33-38)55(45-24-12-10-21-42(45)43-22-11-13-25-46(43)55)48-34-39(27-31-50(48)60-49)54-58-52(36-17-6-2-7-18-36)57-53(59-54)37-19-8-3-9-20-37/h1-25,27-34,38H,26H2
InChIKeyXBFZTCWUUNOQOS-UHFFFAOYSA-N
MW768.92 g/mol
LogP12.79
Rot. Bonds5

About 8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[2,3-dihydroxanthene-9,9'-fluorene]-2-yl]-5-phenylquinoline

8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[2,3-dihydroxanthene-9,9'-fluorene]-2-yl]-5-phenylquinoline (PubChem CID 146548005) has the molecular formula C55H36N4O and a molecular weight of 768.92 g/mol. Its IUPAC name is 8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[2,3-dihydroxanthene-9,9'-fluorene]-2-yl]-5-phenylquinoline.

Molecular Properties

Compound Name8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[2,3-dihydroxanthene-9,9'-fluorene]-2-yl]-5-phenylquinoline
PubChem CID146548005
Molecular FormulaC55H36N4O
Molecular Weight768.92 g/mol
Exact Mass768.29
IUPAC Name8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[2,3-dihydroxanthene-9,9'-fluorene]-2-yl]-5-phenylquinoline
SMILESC1=C2Oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3C3(C2=CC(c2ccc(-c4ccccc4)c4cccnc24)C1)c1ccccc1-c1ccccc13
InChIInChI=1S/C55H36N4O/c1-4-15-35(16-5-1)40-28-29-41(51-44(40)23-14-32-56-51)38-26-30-49-47(33-38)55(45-24-12-10-21-42(45)43-22-11-13-25-46(43)55)48-34-39(27-31-50(48)60-49)54-58-52(36-17-6-2-7-18-36)57-53(59-54)37-19-8-3-9-20-37/h1-25,27-34,38H,26H2
InChIKeyXBFZTCWUUNOQOS-UHFFFAOYSA-N
XLogP12.79
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.92
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146649010
8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 137388424
2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
CID 167178347
8-[4-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 167359606
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137388687
2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 166737937
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947377
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
2,4-bis(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 160998252
8-[7'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 167178042
8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 164793250
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
CID 146547779

Frequently Asked Questions

What is the IUPAC name of 8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[2,3-dihydroxanthene-9,9'-fluorene]-2-yl]-5-phenylquinoline?
The IUPAC name of 8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[2,3-dihydroxanthene-9,9'-fluorene]-2-yl]-5-phenylquinoline (CID 146548005) is 8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[2,3-dihydroxanthene-9,9'-fluorene]-2-yl]-5-phenylquinoline.
What is the SMILES notation for 8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[2,3-dihydroxanthene-9,9'-fluorene]-2-yl]-5-phenylquinoline?
The canonical SMILES for 8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[2,3-dihydroxanthene-9,9'-fluorene]-2-yl]-5-phenylquinoline is C1=C2Oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3C3(C2=CC(c2ccc(-c4ccccc4)c4cccnc24)C1)c1ccccc1-c1ccccc13.
What is the InChIKey of 8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[2,3-dihydroxanthene-9,9'-fluorene]-2-yl]-5-phenylquinoline?
The InChIKey is XBFZTCWUUNOQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4O/c1-4-15-35(16-5-1)40-28-29-41(51-44(40)23-14-32-56-51)38-26-30-49-47(33-38)55(45-24-12-10-21-42(45)43-22-11-13-25-46(43)55)48-34-39(27-31-50(48)60-49)54-58-52(36-17-6-2-7-18-36)57-53(59-54)37-19-8-3-9-20-37/h1-25,27-34,38H,26H2.
What are the key properties of 8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[2,3-dihydroxanthene-9,9'-fluorene]-2-yl]-5-phenylquinoline?
8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[2,3-dihydroxanthene-9,9'-fluorene]-2-yl]-5-phenylquinoline has a molecular weight of 768.92 g/mol, XLogP of 12.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[2,3-dihydroxanthene-9,9'-fluorene]-2-yl]-5-phenylquinoline is sourced from PubChem (CID 146548005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).