2-naphthalen-2-yl-4-phenyl-6-[4-[3-[4-(4-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine

C90H56N6O2 — CID 155442662

IUPAC2-naphthalen-2-yl-4-phenyl-6-[4-[3-[4-(4-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)NC(c3ccc(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6c(-c7nc(-c8ccccc8)nc(-c8ccc9ccccc9c8)n7)cccc65)c4)cc3)=N2)cc1
InChIInChI=1S/C90H56N6O2/c1-3-24-57(25-4-1)83-91-85(95-87(93-83)68-35-21-43-76-81(68)97-78-45-17-15-40-73(78)89(76)70-37-12-9-31-65(70)66-32-10-13-38-71(66)89)59-50-47-56(48-51-59)61-29-19-30-62(53-61)64-34-20-42-75-80(64)67-33-11-14-39-72(67)90(75)74-41-16-18-46-79(74)98-82-69(36-22-44-77(82)90)88-94-84(58-26-5-2-6-27-58)92-86(96-88)63-52-49-55-23-7-8-28-60(55)54-63/h1-54,87H,(H,91,93,95)
InChIKeyPWPYRNKOJVFSQE-UHFFFAOYSA-N
MW1253.48 g/mol
LogP20.79
Rot. Bonds8

About 2-naphthalen-2-yl-4-phenyl-6-[4-[3-[4-(4-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine

2-naphthalen-2-yl-4-phenyl-6-[4-[3-[4-(4-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine (PubChem CID 155442662) has the molecular formula C90H56N6O2 and a molecular weight of 1253.48 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-[4-[3-[4-(4-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenyl-6-[4-[3-[4-(4-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine
PubChem CID155442662
Molecular FormulaC90H56N6O2
Molecular Weight1253.48 g/mol
Exact Mass1252.45
IUPAC Name2-naphthalen-2-yl-4-phenyl-6-[4-[3-[4-(4-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)NC(c3ccc(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6c(-c7nc(-c8ccccc8)nc(-c8ccc9ccccc9c8)n7)cccc65)c4)cc3)=N2)cc1
InChIInChI=1S/C90H56N6O2/c1-3-24-57(25-4-1)83-91-85(95-87(93-83)68-35-21-43-76-81(68)97-78-45-17-15-40-73(78)89(76)70-37-12-9-31-65(70)66-32-10-13-38-71(66)89)59-50-47-56(48-51-59)61-29-19-30-62(53-61)64-34-20-42-75-80(64)67-33-11-14-39-72(67)90(75)74-41-16-18-46-79(74)98-82-69(36-22-44-77(82)90)88-94-84(58-26-5-2-6-27-58)92-86(96-88)63-52-49-55-23-7-8-28-60(55)54-63/h1-54,87H,(H,91,93,95)
InChIKeyPWPYRNKOJVFSQE-UHFFFAOYSA-N
XLogP20.79
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001253.48
LogP ≤ 520.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-naphthalen-2-yl-4-phenyl-6-[4-[3-[4-(4-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-[3-[3-[4-[(9R)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 166738180
2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326904
4-naphthalen-2-yl-6-phenyl-2-[4-[4-[3-[2-[6-phenyl-2-[4-[4-[3-phenyl-5-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine
CID 146343206
2-naphthalen-2-yl-4-[2-[3-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 137391672
2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166995683
2-(3,5-diphenylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 159713077
2-phenanthren-2-yl-4-phenyl-6-[4-[3-[3-[4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine
CID 155476648
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine
CID 160749645
4-naphthalen-2-yl-6-phenyl-2-[4-[3-[4-(6-phenyl-2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine
CID 155443305
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 139521250
4-naphthalen-2-yl-6-phenyl-2-[2-[4-[3-[4-[6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 137388695
2-naphthalen-2-yl-4-phenyl-6-[3-[2-[2-[4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]-1,3,5-triazine
CID 155442481

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-[4-[3-[4-(4-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-[4-[3-[4-(4-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine (CID 155442662) is 2-naphthalen-2-yl-4-phenyl-6-[4-[3-[4-(4-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-6-[4-[3-[4-(4-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-[4-[3-[4-(4-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine is c1ccc(C2=NC(c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)NC(c3ccc(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6c(-c7nc(-c8ccccc8)nc(-c8ccc9ccccc9c8)n7)cccc65)c4)cc3)=N2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-6-[4-[3-[4-(4-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine?
The InChIKey is PWPYRNKOJVFSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H56N6O2/c1-3-24-57(25-4-1)83-91-85(95-87(93-83)68-35-21-43-76-81(68)97-78-45-17-15-40-73(78)89(76)70-37-12-9-31-65(70)66-32-10-13-38-71(66)89)59-50-47-56(48-51-59)61-29-19-30-62(53-61)64-34-20-42-75-80(64)67-33-11-14-39-72(67)90(75)74-41-16-18-46-79(74)98-82-69(36-22-44-77(82)90)88-94-84(58-26-5-2-6-27-58)92-86(96-88)63-52-49-55-23-7-8-28-60(55)54-63/h1-54,87H,(H,91,93,95).
What are the key properties of 2-naphthalen-2-yl-4-phenyl-6-[4-[3-[4-(4-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine?
2-naphthalen-2-yl-4-phenyl-6-[4-[3-[4-(4-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine has a molecular weight of 1253.48 g/mol, XLogP of 20.79, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-phenyl-6-[4-[3-[4-(4-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine is sourced from PubChem (CID 155442662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).