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

C48H34N4O — CID 146494816

IUPAC2-[2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3Oc3ccccc32)c2ccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccn4)n3)cc21
InChIInChI=1S/C48H34N4O/c1-47(2)35-20-8-9-21-36(35)48(38-22-10-12-25-42(38)53-43-26-13-11-23-39(43)48)37-28-27-32(30-40(37)47)33-18-6-7-19-34(33)45-50-44(31-16-4-3-5-17-31)51-46(52-45)41-24-14-15-29-49-41/h3-30H,1-2H3
InChIKeyHJEDFBSWFMQQFV-UHFFFAOYSA-N
MW682.83 g/mol
LogP11.06
Rot. Bonds4

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

2-[2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine (PubChem CID 146494816) has the molecular formula C48H34N4O and a molecular weight of 682.83 g/mol. Its IUPAC name is 2-[2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
PubChem CID146494816
Molecular FormulaC48H34N4O
Molecular Weight682.83 g/mol
Exact Mass682.27
IUPAC Name2-[2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3Oc3ccccc32)c2ccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccn4)n3)cc21
InChIInChI=1S/C48H34N4O/c1-47(2)35-20-8-9-21-36(35)48(38-22-10-12-25-42(38)53-43-26-13-11-23-39(43)48)37-28-27-32(30-40(37)47)33-18-6-7-19-34(33)45-50-44(31-16-4-3-5-17-31)51-46(52-45)41-24-14-15-29-49-41/h3-30H,1-2H3
InChIKeyHJEDFBSWFMQQFV-UHFFFAOYSA-N
XLogP11.06
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.83
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2-yl)phenyl]-4-phenyl-6-pyridin-2-yl-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

2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
CID 146549517
2-[3-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-1-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 146494826
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 142504737
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575450
2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138574917
2-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-3'-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 166995817
2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 166737937
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575084
4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 130380006
2-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 166996046
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 140947408
2-(2-phenylphenyl)-4,6-di(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,3,5-triazine
CID 174271533

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-[2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine (CID 146494816) is 2-[2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine is CC1(C)c2ccccc2C2(c3ccccc3Oc3ccccc32)c2ccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccn4)n3)cc21.
What is the InChIKey of 2-[2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The InChIKey is HJEDFBSWFMQQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4O/c1-47(2)35-20-8-9-21-36(35)48(38-22-10-12-25-42(38)53-43-26-13-11-23-39(43)48)37-28-27-32(30-40(37)47)33-18-6-7-19-34(33)45-50-44(31-16-4-3-5-17-31)51-46(52-45)41-24-14-15-29-49-41/h3-30H,1-2H3.
What are the key properties of 2-[2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
2-[2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine has a molecular weight of 682.83 g/mol, XLogP of 11.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 146494816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).