2-[5'-[2-[3-(4,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-dimethyl-1,3,5-triazine

C49H36N4O — CID 167364747

IUPAC2-[5'-[2-[3-(4,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-dimethyl-1,3,5-triazine
SMILESCc1cc(C)c(-c2cccc(-c3ccccc3-c3cccc4c3Oc3cc(-c5nc(C)nc(C)n5)ccc3C43c4ccccc4-c4ccccc43)c2)cn1
InChIInChI=1S/C49H36N4O/c1-29-25-30(2)50-28-41(29)34-14-11-13-33(26-34)36-15-5-6-16-37(36)40-19-12-22-45-47(40)54-46-27-35(48-52-31(3)51-32(4)53-48)23-24-44(46)49(45)42-20-9-7-17-38(42)39-18-8-10-21-43(39)49/h5-28H,1-4H3
InChIKeyRNXHPXITGWHCKY-UHFFFAOYSA-N
MW696.85 g/mol
LogP11.64
Rot. Bonds4

About 2-[5'-[2-[3-(4,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-dimethyl-1,3,5-triazine

2-[5'-[2-[3-(4,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-dimethyl-1,3,5-triazine (PubChem CID 167364747) has the molecular formula C49H36N4O and a molecular weight of 696.85 g/mol. Its IUPAC name is 2-[5'-[2-[3-(4,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-dimethyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[5'-[2-[3-(4,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-dimethyl-1,3,5-triazine
PubChem CID167364747
Molecular FormulaC49H36N4O
Molecular Weight696.85 g/mol
Exact Mass696.29
IUPAC Name2-[5'-[2-[3-(4,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-dimethyl-1,3,5-triazine
SMILESCc1cc(C)c(-c2cccc(-c3ccccc3-c3cccc4c3Oc3cc(-c5nc(C)nc(C)n5)ccc3C43c4ccccc4-c4ccccc43)c2)cn1
InChIInChI=1S/C49H36N4O/c1-29-25-30(2)50-28-41(29)34-14-11-13-33(26-34)36-15-5-6-16-37(36)40-19-12-22-45-47(40)54-46-27-35(48-52-31(3)51-32(4)53-48)23-24-44(46)49(45)42-20-9-7-17-38(42)39-18-8-10-21-43(39)49/h5-28H,1-4H3
InChIKeyRNXHPXITGWHCKY-UHFFFAOYSA-N
XLogP11.64
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.85
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5'-[2-[3-(4,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-dimethyl-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-methyl-4-[3'-[2-[3-(4-methyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 167364470
2-methyl-4-[6'-[2-(5-methyl-4-phenyl-3-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-6-naphthalen-1-yl-1,3,5-triazine
CID 167364415
2,4-diphenyl-6-[2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 160865421
2,4-diphenyl-6-[3-(3-spiro[benzo[b]xanthene-12,9'-fluorene]-3-ylphenyl)phenyl]-1,3,5-triazine
CID 155054955
2-[3-methyl-4-(2-methylphenyl)phenyl]-4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 130379362
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947301
4-[2'-[4-(4,6-dimethyl-3-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-3-yl]-2-methyl-6-(2-phenylphenyl)pyrimidine
CID 167364713
4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 158213395
2-[6'-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-4-methyl-6-phenyl-1,3,5-triazine
CID 167364335
2,4-bis(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 130378990
2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388570
4-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine
CID 155054785

Frequently Asked Questions

What is the IUPAC name of 2-[5'-[2-[3-(4,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-dimethyl-1,3,5-triazine?
The IUPAC name of 2-[5'-[2-[3-(4,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-dimethyl-1,3,5-triazine (CID 167364747) is 2-[5'-[2-[3-(4,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-dimethyl-1,3,5-triazine.
What is the SMILES notation for 2-[5'-[2-[3-(4,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-dimethyl-1,3,5-triazine?
The canonical SMILES for 2-[5'-[2-[3-(4,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-dimethyl-1,3,5-triazine is Cc1cc(C)c(-c2cccc(-c3ccccc3-c3cccc4c3Oc3cc(-c5nc(C)nc(C)n5)ccc3C43c4ccccc4-c4ccccc43)c2)cn1.
What is the InChIKey of 2-[5'-[2-[3-(4,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-dimethyl-1,3,5-triazine?
The InChIKey is RNXHPXITGWHCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N4O/c1-29-25-30(2)50-28-41(29)34-14-11-13-33(26-34)36-15-5-6-16-37(36)40-19-12-22-45-47(40)54-46-27-35(48-52-31(3)51-32(4)53-48)23-24-44(46)49(45)42-20-9-7-17-38(42)39-18-8-10-21-43(39)49/h5-28H,1-4H3.
What are the key properties of 2-[5'-[2-[3-(4,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-dimethyl-1,3,5-triazine?
2-[5'-[2-[3-(4,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-dimethyl-1,3,5-triazine has a molecular weight of 696.85 g/mol, XLogP of 11.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5'-[2-[3-(4,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-dimethyl-1,3,5-triazine is sourced from PubChem (CID 167364747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).