beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene

C254H163BeN10O3S3+3 — CID 157313289

IUPACberyllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene
SMILESCc1ccc(C2(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3cc(C#N)ccc32)cc1.Oc1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.[Be+2].[O-]c1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2cccc(-c3ccc4c5ccc(-c6ccccc6)cc5c5ccccc5c4c3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1.c1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12
InChIInChI=1S/C40H25N3.C39H25N3.C39H26N2.C36H22S.C36H24.C30H18O.2C17H11NOS.Be/c1-3-13-26(14-4-1)37-41-38(27-15-5-2-6-16-27)43-39(42-37)28-23-24-32-31-19-9-12-22-35(31)40(36(32)25-28)33-20-10-7-17-29(33)30-18-8-11-21-34(30)40;1-3-12-26(13-4-1)37-40-38(27-14-5-2-6-15-27)42-39(41-37)30-17-11-16-28(24-30)29-22-23-35-33-20-8-7-18-31(33)32-19-9-10-21-34(32)36(35)25-29;1-26-15-18-28(19-16-26)39(35-13-7-5-11-31(35)33-23-27(25-40)17-21-36(33)39)29-20-22-38-34(24-29)32-12-6-8-14-37(32)41(38)30-9-3-2-4-10-30;1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33;1-3-10-25(11-4-1)27-14-9-15-28(22-27)30-19-21-34-33-20-18-29(26-12-5-2-6-13-26)23-35(33)31-16-7-8-17-32(31)36(34)24-30;1-2-9-23-21(7-1)22-8-3-4-10-24(22)27-17-19(13-15-25(23)27)20-14-16-30-28(18-20)26-11-5-6-12-29(26)31-30;2*19-15-10-12-6-2-1-5-11(12)9-13(15)17-18-14-7-3-4-8-16(14)20-17;/h1-25H;1-25H;2-24H,1H3;1-22H;1-24H;1-18H;2*1-10,19H;/q;;;;;;;;+2/p+1
InChIKeyIWHLAZZKNNTMGW-UHFFFAOYSA-O
MW3508.38 g/mol
LogP65.72
Rot. Bonds18

About beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene

beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene (PubChem CID 157313289) has the molecular formula C254H163BeN10O3S3+3 and a molecular weight of 3508.38 g/mol. Its IUPAC name is beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene.

Molecular Properties

Compound Nameberyllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene
PubChem CID157313289
Molecular FormulaC254H163BeN10O3S3+3
Molecular Weight3508.38 g/mol
Exact Mass3505.22
IUPAC Nameberyllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene
SMILESCc1ccc(C2(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3cc(C#N)ccc32)cc1.Oc1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.[Be+2].[O-]c1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2cccc(-c3ccc4c5ccc(-c6ccccc6)cc5c5ccccc5c4c3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1.c1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12
InChIInChI=1S/C40H25N3.C39H25N3.C39H26N2.C36H22S.C36H24.C30H18O.2C17H11NOS.Be/c1-3-13-26(14-4-1)37-41-38(27-15-5-2-6-16-27)43-39(42-37)28-23-24-32-31-19-9-12-22-35(31)40(36(32)25-28)33-20-10-7-17-29(33)30-18-8-11-21-34(30)40;1-3-12-26(13-4-1)37-40-38(27-14-5-2-6-15-27)42-39(41-37)30-17-11-16-28(24-30)29-22-23-35-33-20-8-7-18-31(33)32-19-9-10-21-34(32)36(35)25-29;1-26-15-18-28(19-16-26)39(35-13-7-5-11-31(35)33-23-27(25-40)17-21-36(33)39)29-20-22-38-34(24-29)32-12-6-8-14-37(32)41(38)30-9-3-2-4-10-30;1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33;1-3-10-25(11-4-1)27-14-9-15-28(22-27)30-19-21-34-33-20-18-29(26-12-5-2-6-13-26)23-35(33)31-16-7-8-17-32(31)36(34)24-30;1-2-9-23-21(7-1)22-8-3-4-10-24(22)27-17-19(13-15-25(23)27)20-14-16-30-28(18-20)26-11-5-6-12-29(26)31-30;2*19-15-10-12-6-2-1-5-11(12)9-13(15)17-18-14-7-3-4-8-16(14)20-17;/h1-25H;1-25H;2-24H,1H3;1-22H;1-24H;1-18H;2*1-10,19H;/q;;;;;;;;+2/p+1
InChIKeyIWHLAZZKNNTMGW-UHFFFAOYSA-O
XLogP65.72
TPSA190.77 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003508.38
LogP ≤ 565.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene?
The IUPAC name of beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene (CID 157313289) is beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene.
What is the SMILES notation for beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene?
The canonical SMILES for beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene is Cc1ccc(C2(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3cc(C#N)ccc32)cc1.Oc1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.[Be+2].[O-]c1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2cccc(-c3ccc4c5ccc(-c6ccccc6)cc5c5ccccc5c4c3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1.c1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12.
What is the InChIKey of beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene?
The InChIKey is IWHLAZZKNNTMGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C40H25N3.C39H25N3.C39H26N2.C36H22S.C36H24.C30H18O.2C17H11NOS.Be/c1-3-13-26(14-4-1)37-41-38(27-15-5-2-6-16-27)43-39(42-37)28-23-24-32-31-19-9-12-22-35(31)40(36(32)25-28)33-20-10-7-17-29(33)30-18-8-11-21-34(30)40;1-3-12-26(13-4-1)37-40-38(27-14-5-2-6-15-27)42-39(41-37)30-17-11-16-28(24-30)29-22-23-35-33-20-8-7-18-31(33)32-19-9-10-21-34(32)36(35)25-29;1-26-15-18-28(19-16-26)39(35-13-7-5-11-31(35)33-23-27(25-40)17-21-36(33)39)29-20-22-38-34(24-29)32-12-6-8-14-37(32)41(38)30-9-3-2-4-10-30;1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33;1-3-10-25(11-4-1)27-14-9-15-28(22-27)30-19-21-34-33-20-18-29(26-12-5-2-6-13-26)23-35(33)31-16-7-8-17-32(31)36(34)24-30;1-2-9-23-21(7-1)22-8-3-4-10-24(22)27-17-19(13-15-25(23)27)20-14-16-30-28(18-20)26-11-5-6-12-29(26)31-30;2*19-15-10-12-6-2-1-5-11(12)9-13(15)17-18-14-7-3-4-8-16(14)20-17;/h1-25H;1-25H;2-24H,1H3;1-22H;1-24H;1-18H;2*1-10,19H;/q;;;;;;;;+2/p+1.
What are the key properties of beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene?
beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene has a molecular weight of 3508.38 g/mol, XLogP of 65.72, 18 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene is sourced from PubChem (CID 157313289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).