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

C46H33N3O — CID 146321879

IUPAC4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3NC(c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)=NC(c4ccccc4)N3)cc2)cc1
InChIInChI=1S/C46H33N3O/c1-3-14-30(15-4-1)31-26-28-33(29-27-31)44-47-43(32-16-5-2-6-17-32)48-45(49-44)35-19-13-23-39-42(35)34-18-7-8-20-36(34)46(39)37-21-9-11-24-40(37)50-41-25-12-10-22-38(41)46/h1-29,43-44,47H,(H,48,49)
InChIKeyJJKYAAFQTAIBHF-UHFFFAOYSA-N
MW643.79 g/mol
LogP10.16
Rot. Bonds4

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

4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 146321879) has the molecular formula C46H33N3O and a molecular weight of 643.79 g/mol. Its IUPAC name is 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID146321879
Molecular FormulaC46H33N3O
Molecular Weight643.79 g/mol
Exact Mass643.26
IUPAC Name4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3NC(c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)=NC(c4ccccc4)N3)cc2)cc1
InChIInChI=1S/C46H33N3O/c1-3-14-30(15-4-1)31-26-28-33(29-27-31)44-47-43(32-16-5-2-6-17-32)48-45(49-44)35-19-13-23-39-42(35)34-18-7-8-20-36(34)46(39)37-21-9-11-24-40(37)50-41-25-12-10-22-38(41)46/h1-29,43-44,47H,(H,48,49)
InChIKeyJJKYAAFQTAIBHF-UHFFFAOYSA-N
XLogP10.16
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.79
LogP ≤ 510.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-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

6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 142504521
2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 147530419
2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100994
6-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 126543719
10-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-ylphenoxazine
CID 146321847
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100996
8-[7-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline
CID 163570159
4-[3-[4-[5-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-2-methylspiro[fluorene-9,9'-xanthene]-3'-yl]-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]benzonitrile
CID 146322016
6-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 130379799
2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099536
12,12-dimethyl-5-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-11-spiro[fluorene-9,9'-xanthene]-2-ylindeno[2,1-a]carbazole
CID 146321981
4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 129157187

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 146321879) is 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(-c2ccc(C3NC(c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)=NC(c4ccccc4)N3)cc2)cc1.
What is the InChIKey of 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is JJKYAAFQTAIBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3O/c1-3-14-30(15-4-1)31-26-28-33(29-27-31)44-47-43(32-16-5-2-6-17-32)48-45(49-44)35-19-13-23-39-42(35)34-18-7-8-20-36(34)46(39)37-21-9-11-24-40(37)50-41-25-12-10-22-38(41)46/h1-29,43-44,47H,(H,48,49).
What are the key properties of 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine?
4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 643.79 g/mol, XLogP of 10.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 146321879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).