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

C59H41N3 — CID 153302528

IUPAC2-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cc5ccccc5cc4-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cccc32)c2ccccc21
InChIInChI=1S/C59H41N3/c1-58(2)49-30-13-15-32-51(49)59(52-33-16-14-31-50(52)58)48-29-12-11-27-45(48)54-44(28-18-34-53(54)59)47-37-41-24-10-9-23-40(41)36-46(47)42-25-17-26-43(35-42)57-61-55(38-19-5-3-6-20-38)60-56(62-57)39-21-7-4-8-22-39/h3-37H,1-2H3
InChIKeyDBBDDAIULACPKJ-UHFFFAOYSA-N
MW792.00 g/mol
LogP14.36
Rot. Bonds5

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

2-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 153302528) has the molecular formula C59H41N3 and a molecular weight of 792.00 g/mol. Its IUPAC name is 2-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID153302528
Molecular FormulaC59H41N3
Molecular Weight792.00 g/mol
Exact Mass791.33
IUPAC Name2-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cc5ccccc5cc4-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cccc32)c2ccccc21
InChIInChI=1S/C59H41N3/c1-58(2)49-30-13-15-32-51(49)59(52-33-16-14-31-50(52)58)48-29-12-11-27-45(48)54-44(28-18-34-53(54)59)47-37-41-24-10-9-23-40(41)36-46(47)42-25-17-26-43(35-42)57-61-55(38-19-5-3-6-20-38)60-56(62-57)39-21-7-4-8-22-39/h3-37H,1-2H3
InChIKeyDBBDDAIULACPKJ-UHFFFAOYSA-N
XLogP14.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.00
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134272072
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 153302560
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 153302614
2-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 153302542
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 126543666
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene]-4-yl-1,3,5-triazine
CID 155186323
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 139521250
2,4-diphenyl-6-[3-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614290
2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838
2-[9,9-dimethyl-6'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine
CID 153293179
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 161349132
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146187475

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 153302528) is 2-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cc5ccccc5cc4-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cccc32)c2ccccc21.
What is the InChIKey of 2-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is DBBDDAIULACPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3/c1-58(2)49-30-13-15-32-51(49)59(52-33-16-14-31-50(52)58)48-29-12-11-27-45(48)54-44(28-18-34-53(54)59)47-37-41-24-10-9-23-40(41)36-46(47)42-25-17-26-43(35-42)57-61-55(38-19-5-3-6-20-38)60-56(62-57)39-21-7-4-8-22-39/h3-37H,1-2H3.
What are the key properties of 2-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 792.00 g/mol, XLogP of 14.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 153302528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).