8-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline

C55H34N4O — CID 146546692

IUPAC8-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6cccc7cccnc67)ccc4-5)n3)c2)cc1
InChIInChI=1S/C55H34N4O/c1-3-14-35(15-4-1)38-19-11-20-40(32-38)53-57-52(37-16-5-2-6-17-37)58-54(59-53)41-28-30-44-43-29-27-39(42-22-12-18-36-21-13-31-56-51(36)42)33-47(43)55(48(44)34-41)45-23-7-9-25-49(45)60-50-26-10-8-24-46(50)55/h1-34H
InChIKeyJZIABAYWQNPART-UHFFFAOYSA-N
MW766.90 g/mol
LogP13.22
Rot. Bonds5

About 8-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline

8-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline (PubChem CID 146546692) has the molecular formula C55H34N4O and a molecular weight of 766.90 g/mol. Its IUPAC name is 8-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline.

Molecular Properties

Compound Name8-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
PubChem CID146546692
Molecular FormulaC55H34N4O
Molecular Weight766.90 g/mol
Exact Mass766.27
IUPAC Name8-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6cccc7cccnc67)ccc4-5)n3)c2)cc1
InChIInChI=1S/C55H34N4O/c1-3-14-35(15-4-1)38-19-11-20-40(32-38)53-57-52(37-16-5-2-6-17-37)58-54(59-53)41-28-30-44-43-29-27-39(42-22-12-18-36-21-13-31-56-51(36)42)33-47(43)55(48(44)34-41)45-23-7-9-25-49(45)60-50-26-10-8-24-46(50)55/h1-34H
InChIKeyJZIABAYWQNPART-UHFFFAOYSA-N
XLogP13.22
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.90
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline?
The IUPAC name of 8-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline (CID 146546692) is 8-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline.
What is the SMILES notation for 8-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline?
The canonical SMILES for 8-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6cccc7cccnc67)ccc4-5)n3)c2)cc1.
What is the InChIKey of 8-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline?
The InChIKey is JZIABAYWQNPART-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4O/c1-3-14-35(15-4-1)38-19-11-20-40(32-38)53-57-52(37-16-5-2-6-17-37)58-54(59-53)41-28-30-44-43-29-27-39(42-22-12-18-36-21-13-31-56-51(36)42)33-47(43)55(48(44)34-41)45-23-7-9-25-49(45)60-50-26-10-8-24-46(50)55/h1-34H.
What are the key properties of 8-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline?
8-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline has a molecular weight of 766.90 g/mol, XLogP of 13.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline is sourced from PubChem (CID 146546692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).