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

C102H62N6O2 — CID 137391672

IUPAC2-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
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc(-c5ccccc5-c5nc(-c6cccc(-c7ccc8c(c7)C7(c9ccccc9O8)c8ccccc8-c8ccccc87)c6)nc(-c6ccc7ccccc7c6)n5)c4)cc3)nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)n2)cc1
InChIInChI=1S/C102H62N6O2/c1-2-24-65(25-3-1)95-103-96(105-97(104-95)74-31-21-28-69(59-74)71-53-55-93-89(61-71)101(87-43-16-18-45-91(87)109-93)83-39-12-8-34-78(83)79-35-9-13-40-84(79)101)66-50-47-64(48-51-66)68-27-20-30-73(57-68)77-33-6-7-38-82(77)100-107-98(106-99(108-100)76-52-49-63-23-4-5-26-67(63)58-76)75-32-22-29-70(60-75)72-54-56-94-90(62-72)102(88-44-17-19-46-92(88)110-94)85-41-14-10-36-80(85)81-37-11-15-42-86(81)102/h1-62H
InChIKeyCDBYYSQYFKKYFF-UHFFFAOYSA-N
MW1403.66 g/mol
LogP24.82
Rot. Bonds10

About 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

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 (PubChem CID 137391672) has the molecular formula C102H62N6O2 and a molecular weight of 1403.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID137391672
Molecular FormulaC102H62N6O2
Molecular Weight1403.66 g/mol
Exact Mass1402.49
IUPAC Name2-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
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc(-c5ccccc5-c5nc(-c6cccc(-c7ccc8c(c7)C7(c9ccccc9O8)c8ccccc8-c8ccccc87)c6)nc(-c6ccc7ccccc7c6)n5)c4)cc3)nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)n2)cc1
InChIInChI=1S/C102H62N6O2/c1-2-24-65(25-3-1)95-103-96(105-97(104-95)74-31-21-28-69(59-74)71-53-55-93-89(61-71)101(87-43-16-18-45-91(87)109-93)83-39-12-8-34-78(83)79-35-9-13-40-84(79)101)66-50-47-64(48-51-66)68-27-20-30-73(57-68)77-33-6-7-38-82(77)100-107-98(106-99(108-100)76-52-49-63-23-4-5-26-67(63)58-76)75-32-22-29-70(60-75)72-54-56-94-90(62-72)102(88-44-17-19-46-92(88)110-94)85-41-14-10-36-80(85)81-37-11-15-42-86(81)102/h1-62H
InChIKeyCDBYYSQYFKKYFF-UHFFFAOYSA-N
XLogP24.82
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms110
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001403.66
LogP ≤ 524.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc(-c4cccc(-c5ccccc5-c5nc(-c6cccc(-c7ccc8c(c7)C7(c9ccccc9O8)c8ccccc8-c8ccccc87)c6)nc(-c6ccc7ccccc7c6)n5)c4)cc3)nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is CDBYYSQYFKKYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H62N6O2/c1-2-24-65(25-3-1)95-103-96(105-97(104-95)74-31-21-28-69(59-74)71-53-55-93-89(61-71)101(87-43-16-18-45-91(87)109-93)83-39-12-8-34-78(83)79-35-9-13-40-84(79)101)66-50-47-64(48-51-66)68-27-20-30-73(57-68)77-33-6-7-38-82(77)100-107-98(106-99(108-100)76-52-49-63-23-4-5-26-67(63)58-76)75-32-22-29-70(60-75)72-54-56-94-90(62-72)102(88-44-17-19-46-92(88)110-94)85-41-14-10-36-80(85)81-37-11-15-42-86(81)102/h1-62H.
What are the key properties of 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?
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 has a molecular weight of 1403.66 g/mol, XLogP of 24.82, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137391672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).