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

C107H63N7O2 — CID 137391968

IUPAC8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-5-[3-[4-spiro[fluorene-9,9'-xanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc(-c6nc(-c7ccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cc7)nc(-c7cccc8c7Oc7ccccc7C87c8ccccc8-c8ccccc87)n6)c5)c5cccnc45)cc3)nc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C107H63N7O2/c1-2-24-66(25-3-1)100-109-101(112-104(111-100)84-36-21-45-93-98(84)115-95-47-18-16-43-91(95)106(93)87-39-12-8-32-79(87)80-33-9-13-40-88(80)106)68-55-51-65(52-56-68)73-60-59-72(83-38-23-61-108-97(73)83)70-26-20-27-71(62-70)103-110-102(67-53-49-64(50-54-67)69-57-58-78-76-30-5-4-28-74(76)75-29-6-7-31-77(75)86(78)63-69)113-105(114-103)85-37-22-46-94-99(85)116-96-48-19-17-44-92(96)107(94)89-41-14-10-34-81(89)82-35-11-15-42-90(82)107/h1-63H
InChIKeyXNQPKOJGLDVOPP-UHFFFAOYSA-N
MW1478.73 g/mol
LogP26.00
Rot. Bonds9

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

8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-5-[3-[4-spiro[fluorene-9,9'-xanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline (PubChem CID 137391968) has the molecular formula C107H63N7O2 and a molecular weight of 1478.73 g/mol. Its IUPAC name is 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-5-[3-[4-spiro[fluorene-9,9'-xanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-5-[3-[4-spiro[fluorene-9,9'-xanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
PubChem CID137391968
Molecular FormulaC107H63N7O2
Molecular Weight1478.73 g/mol
Exact Mass1477.50
IUPAC Name8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-5-[3-[4-spiro[fluorene-9,9'-xanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc(-c6nc(-c7ccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cc7)nc(-c7cccc8c7Oc7ccccc7C87c8ccccc8-c8ccccc87)n6)c5)c5cccnc45)cc3)nc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C107H63N7O2/c1-2-24-66(25-3-1)100-109-101(112-104(111-100)84-36-21-45-93-98(84)115-95-47-18-16-43-91(95)106(93)87-39-12-8-32-79(87)80-33-9-13-40-88(80)106)68-55-51-65(52-56-68)73-60-59-72(83-38-23-61-108-97(73)83)70-26-20-27-71(62-70)103-110-102(67-53-49-64(50-54-67)69-57-58-78-76-30-5-4-28-74(76)75-29-6-7-31-77(75)86(78)63-69)113-105(114-103)85-37-22-46-94-99(85)116-96-48-19-17-44-92(96)107(94)89-41-14-10-34-81(89)82-35-11-15-42-90(82)107/h1-63H
InChIKeyXNQPKOJGLDVOPP-UHFFFAOYSA-N
XLogP26.00
TPSA108.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001478.73
LogP ≤ 526.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-5-[3-[4-spiro[fluorene-9,9'-xanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-5-[3-[4-spiro[fluorene-9,9'-xanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The IUPAC name of 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-5-[3-[4-spiro[fluorene-9,9'-xanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline (CID 137391968) is 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-5-[3-[4-spiro[fluorene-9,9'-xanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline.
What is the SMILES notation for 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-5-[3-[4-spiro[fluorene-9,9'-xanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The canonical SMILES for 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-5-[3-[4-spiro[fluorene-9,9'-xanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc(-c6nc(-c7ccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cc7)nc(-c7cccc8c7Oc7ccccc7C87c8ccccc8-c8ccccc87)n6)c5)c5cccnc45)cc3)nc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-5-[3-[4-spiro[fluorene-9,9'-xanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The InChIKey is XNQPKOJGLDVOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H63N7O2/c1-2-24-66(25-3-1)100-109-101(112-104(111-100)84-36-21-45-93-98(84)115-95-47-18-16-43-91(95)106(93)87-39-12-8-32-79(87)80-33-9-13-40-88(80)106)68-55-51-65(52-56-68)73-60-59-72(83-38-23-61-108-97(73)83)70-26-20-27-71(62-70)103-110-102(67-53-49-64(50-54-67)69-57-58-78-76-30-5-4-28-74(76)75-29-6-7-31-77(75)86(78)63-69)113-105(114-103)85-37-22-46-94-99(85)116-96-48-19-17-44-92(96)107(94)89-41-14-10-34-81(89)82-35-11-15-42-90(82)107/h1-63H.
What are the key properties of 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-5-[3-[4-spiro[fluorene-9,9'-xanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-5-[3-[4-spiro[fluorene-9,9'-xanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline has a molecular weight of 1478.73 g/mol, XLogP of 26.00, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-5-[3-[4-spiro[fluorene-9,9'-xanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline is sourced from PubChem (CID 137391968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).