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

C48H34N4 — CID 142504737

IUPAC2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccn6)cc5)n4)ccc32)c2ccccc21
InChIInChI=1S/C48H34N4/c1-47(2)39-18-8-10-20-41(39)48(42-21-11-9-19-40(42)47)37-17-7-6-16-35(37)36-30-34(27-28-38(36)48)46-51-44(32-14-4-3-5-15-32)50-45(52-46)33-25-23-31(24-26-33)43-22-12-13-29-49-43/h3-30H,1-2H3
InChIKeyXZCVGCGASLAMJO-UHFFFAOYSA-N
MW666.83 g/mol
LogP10.94
Rot. Bonds4

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

2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine (PubChem CID 142504737) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
PubChem CID142504737
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccn6)cc5)n4)ccc32)c2ccccc21
InChIInChI=1S/C48H34N4/c1-47(2)39-18-8-10-20-41(39)48(42-21-11-9-19-40(42)47)37-17-7-6-16-35(37)36-30-34(27-28-38(36)48)46-51-44(32-14-4-3-5-15-32)50-45(52-46)33-25-23-31(24-26-33)43-22-12-13-29-49-43/h3-30H,1-2H3
InChIKeyXZCVGCGASLAMJO-UHFFFAOYSA-N
XLogP10.94
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.83
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2-phenyl-6-pyridin-2-ylpyrimidine
CID 166995778
2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 129292703
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146494836
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142504402
2-[3-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166995942
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146495829
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 153302504
4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 166995628
2,4-diphenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 130261102
2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 146632433
2-(4-phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146631999
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

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine (CID 142504737) is 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccn6)cc5)n4)ccc32)c2ccccc21.
What is the InChIKey of 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine?
The InChIKey is XZCVGCGASLAMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c1-47(2)39-18-8-10-20-41(39)48(42-21-11-9-19-40(42)47)37-17-7-6-16-35(37)36-30-34(27-28-38(36)48)46-51-44(32-14-4-3-5-15-32)50-45(52-46)33-25-23-31(24-26-33)43-22-12-13-29-49-43/h3-30H,1-2H3.
What are the key properties of 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine?
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine has a molecular weight of 666.83 g/mol, XLogP of 10.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 142504737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).