2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C177H123N9 — CID 158250945

IUPAC2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)ccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)cc32)c2ccccc21
InChIInChI=1S/3C59H41N3/c1-58(2)49-27-13-15-29-51(49)59(52-30-16-14-28-50(52)58)48-26-12-11-24-47(48)54-46(25-17-31-53(54)59)45-37-36-42(43-22-9-10-23-44(43)45)38-32-34-41(35-33-38)57-61-55(39-18-5-3-6-19-39)60-56(62-57)40-20-7-4-8-21-40;1-58(2)51-25-13-15-27-53(51)59(54-28-16-14-26-52(54)58)49-24-12-11-23-47(49)48-37-42(33-36-50(48)59)44-35-34-43(45-21-9-10-22-46(44)45)38-29-31-41(32-30-38)57-61-55(39-17-5-3-6-18-39)60-56(62-57)40-19-7-4-8-20-40;1-58(2)50-25-13-15-27-52(50)59(53-28-16-14-26-51(53)58)49-24-12-11-23-47(49)48-34-33-42(37-54(48)59)44-36-35-43(45-21-9-10-22-46(44)45)38-29-31-41(32-30-38)57-61-55(39-17-5-3-6-18-39)60-56(62-57)40-19-7-4-8-20-40/h3*3-37H,1-2H3
InChIKeyGGSAPYHSCHVYEA-UHFFFAOYSA-N
MW2375.99 g/mol
LogP43.09
Rot. Bonds15

About 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 158250945) has the molecular formula C177H123N9 and a molecular weight of 2375.99 g/mol. Its IUPAC name is 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID158250945
Molecular FormulaC177H123N9
Molecular Weight2375.99 g/mol
Exact Mass2373.99
IUPAC Name2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)ccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)cc32)c2ccccc21
InChIInChI=1S/3C59H41N3/c1-58(2)49-27-13-15-29-51(49)59(52-30-16-14-28-50(52)58)48-26-12-11-24-47(48)54-46(25-17-31-53(54)59)45-37-36-42(43-22-9-10-23-44(43)45)38-32-34-41(35-33-38)57-61-55(39-18-5-3-6-19-39)60-56(62-57)40-20-7-4-8-21-40;1-58(2)51-25-13-15-27-53(51)59(54-28-16-14-26-52(54)58)49-24-12-11-23-47(49)48-37-42(33-36-50(48)59)44-35-34-43(45-21-9-10-22-46(44)45)38-29-31-41(32-30-38)57-61-55(39-17-5-3-6-18-39)60-56(62-57)40-19-7-4-8-20-40;1-58(2)50-25-13-15-27-52(50)59(53-28-16-14-26-51(53)58)49-24-12-11-23-47(49)48-34-33-42(37-54(48)59)44-36-35-43(45-21-9-10-22-46(44)45)38-29-31-41(32-30-38)57-61-55(39-17-5-3-6-18-39)60-56(62-57)40-19-7-4-8-20-40/h3*3-37H,1-2H3
InChIKeyGGSAPYHSCHVYEA-UHFFFAOYSA-N
XLogP43.09
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms186
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002375.99
LogP ≤ 543.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 158250945) is 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)ccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)cc32)c2ccccc21.
What is the InChIKey of 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is GGSAPYHSCHVYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C59H41N3/c1-58(2)49-27-13-15-29-51(49)59(52-30-16-14-28-50(52)58)48-26-12-11-24-47(48)54-46(25-17-31-53(54)59)45-37-36-42(43-22-9-10-23-44(43)45)38-32-34-41(35-33-38)57-61-55(39-18-5-3-6-19-39)60-56(62-57)40-20-7-4-8-21-40;1-58(2)51-25-13-15-27-53(51)59(54-28-16-14-26-52(54)58)49-24-12-11-23-47(49)48-37-42(33-36-50(48)59)44-35-34-43(45-21-9-10-22-46(44)45)38-29-31-41(32-30-38)57-61-55(39-17-5-3-6-18-39)60-56(62-57)40-19-7-4-8-20-40;1-58(2)50-25-13-15-27-52(50)59(53-28-16-14-26-51(53)58)49-24-12-11-23-47(49)48-34-33-42(37-54(48)59)44-36-35-43(45-21-9-10-22-46(44)45)38-29-31-41(32-30-38)57-61-55(39-17-5-3-6-18-39)60-56(62-57)40-19-7-4-8-20-40/h3*3-37H,1-2H3.
What are the key properties of 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2375.99 g/mol, XLogP of 43.09, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 158250945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).