9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline

C192H175N21O2S — CID 165024987

IUPAC9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline
SMILESCC(C)(C)c1cc2ccc3cccnc3c2nc1-c1ccccc1.CC(C)(C)c1cc2ccc3nccnc3c2nc1-c1ccccc1.CC(C)(C)c1nc(-c2ccc3c(c2)Oc2ccccc2O3)nc(-n2c3ccccc3c3ccccc32)n1.CC(C)(C)c1nc(-c2ccccc2)c2ccc3ccccc3c2n1.CC(C)(C)c1nc(-c2ccccc2)c2ccccc2n1.CC(C)(C)c1nc(-c2ccccc2)c2sc3ccccc3c2n1.CC(C)(C)c1nc(-c2ccccc2)cc2ccc3ccncc3c12.CC(C)(C)c1nc(-c2ccccc2)nc2ccccc12.CC(C)(C)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C31H24N4O2.3C22H20N2.C21H19N3.C20H18N2S.3C18H18N2/c1-31(2,3)29-32-28(19-16-17-26-27(18-19)37-25-15-9-8-14-24(25)36-26)33-30(34-29)35-22-12-6-4-10-20(22)21-11-5-7-13-23(21)35;1-22(2,3)21-23-19(16-10-5-4-6-11-16)18-14-13-15-9-7-8-12-17(15)20(18)24-21;1-22(2,3)18-14-17-12-11-16-10-7-13-23-20(16)21(17)24-19(18)15-8-5-4-6-9-15;1-22(2,3)21-20-17(10-9-15-11-12-23-14-18(15)20)13-19(24-21)16-7-5-4-6-8-16;1-21(2,3)16-13-15-9-10-17-20(23-12-11-22-17)19(15)24-18(16)14-7-5-4-6-8-14;1-20(2,3)19-21-16(13-9-5-4-6-10-13)18-17(22-19)14-11-7-8-12-15(14)23-18;1-18(2,3)16-14-11-7-8-12-15(14)19-17(20-16)13-9-5-4-6-10-13;1-18(2,3)17-16(13-9-5-4-6-10-13)19-14-11-7-8-12-15(14)20-17;1-18(2,3)17-19-15-12-8-7-11-14(15)16(20-17)13-9-5-4-6-10-13/h4-18H,1-3H3;3*4-14H,1-3H3;4-13H,1-3H3;4-12H,1-3H3;3*4-12H,1-3H3
InChIKeyLSUZARCHJOCRAI-UHFFFAOYSA-N
MW2840.72 g/mol
LogP49.81
Rot. Bonds10

About 9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline

9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline (PubChem CID 165024987) has the molecular formula C192H175N21O2S and a molecular weight of 2840.72 g/mol. Its IUPAC name is 9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline.

Molecular Properties

Compound Name9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline
PubChem CID165024987
Molecular FormulaC192H175N21O2S
Molecular Weight2840.72 g/mol
Exact Mass2838.40
IUPAC Name9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline
SMILESCC(C)(C)c1cc2ccc3cccnc3c2nc1-c1ccccc1.CC(C)(C)c1cc2ccc3nccnc3c2nc1-c1ccccc1.CC(C)(C)c1nc(-c2ccc3c(c2)Oc2ccccc2O3)nc(-n2c3ccccc3c3ccccc32)n1.CC(C)(C)c1nc(-c2ccccc2)c2ccc3ccccc3c2n1.CC(C)(C)c1nc(-c2ccccc2)c2ccccc2n1.CC(C)(C)c1nc(-c2ccccc2)c2sc3ccccc3c2n1.CC(C)(C)c1nc(-c2ccccc2)cc2ccc3ccncc3c12.CC(C)(C)c1nc(-c2ccccc2)nc2ccccc12.CC(C)(C)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C31H24N4O2.3C22H20N2.C21H19N3.C20H18N2S.3C18H18N2/c1-31(2,3)29-32-28(19-16-17-26-27(18-19)37-25-15-9-8-14-24(25)36-26)33-30(34-29)35-22-12-6-4-10-20(22)21-11-5-7-13-23(21)35;1-22(2,3)21-23-19(16-10-5-4-6-11-16)18-14-13-15-9-7-8-12-17(15)20(18)24-21;1-22(2,3)18-14-17-12-11-16-10-7-13-23-20(16)21(17)24-19(18)15-8-5-4-6-9-15;1-22(2,3)21-20-17(10-9-15-11-12-23-14-18(15)20)13-19(24-21)16-7-5-4-6-8-16;1-21(2,3)16-13-15-9-10-17-20(23-12-11-22-17)19(15)24-18(16)14-7-5-4-6-8-14;1-20(2,3)19-21-16(13-9-5-4-6-10-13)18-17(22-19)14-11-7-8-12-15(14)23-18;1-18(2,3)16-14-11-7-8-12-15(14)19-17(20-16)13-9-5-4-6-10-13;1-18(2,3)17-16(13-9-5-4-6-10-13)19-14-11-7-8-12-15(14)20-17;1-18(2,3)17-19-15-12-8-7-11-14(15)16(20-17)13-9-5-4-6-10-13/h4-18H,1-3H3;3*4-14H,1-3H3;4-13H,1-3H3;4-12H,1-3H3;3*4-12H,1-3H3
InChIKeyLSUZARCHJOCRAI-UHFFFAOYSA-N
XLogP49.81
TPSA281.19 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds10
Heavy Atoms216
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002840.72
LogP ≤ 549.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline 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

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline?
The IUPAC name of 9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline (CID 165024987) is 9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline.
What is the SMILES notation for 9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline?
The canonical SMILES for 9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline is CC(C)(C)c1cc2ccc3cccnc3c2nc1-c1ccccc1.CC(C)(C)c1cc2ccc3nccnc3c2nc1-c1ccccc1.CC(C)(C)c1nc(-c2ccc3c(c2)Oc2ccccc2O3)nc(-n2c3ccccc3c3ccccc32)n1.CC(C)(C)c1nc(-c2ccccc2)c2ccc3ccccc3c2n1.CC(C)(C)c1nc(-c2ccccc2)c2ccccc2n1.CC(C)(C)c1nc(-c2ccccc2)c2sc3ccccc3c2n1.CC(C)(C)c1nc(-c2ccccc2)cc2ccc3ccncc3c12.CC(C)(C)c1nc(-c2ccccc2)nc2ccccc12.CC(C)(C)c1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of 9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline?
The InChIKey is LSUZARCHJOCRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4O2.3C22H20N2.C21H19N3.C20H18N2S.3C18H18N2/c1-31(2,3)29-32-28(19-16-17-26-27(18-19)37-25-15-9-8-14-24(25)36-26)33-30(34-29)35-22-12-6-4-10-20(22)21-11-5-7-13-23(21)35;1-22(2,3)21-23-19(16-10-5-4-6-11-16)18-14-13-15-9-7-8-12-17(15)20(18)24-21;1-22(2,3)18-14-17-12-11-16-10-7-13-23-20(16)21(17)24-19(18)15-8-5-4-6-9-15;1-22(2,3)21-20-17(10-9-15-11-12-23-14-18(15)20)13-19(24-21)16-7-5-4-6-8-16;1-21(2,3)16-13-15-9-10-17-20(23-12-11-22-17)19(15)24-18(16)14-7-5-4-6-8-14;1-20(2,3)19-21-16(13-9-5-4-6-10-13)18-17(22-19)14-11-7-8-12-15(14)23-18;1-18(2,3)16-14-11-7-8-12-15(14)19-17(20-16)13-9-5-4-6-10-13;1-18(2,3)17-16(13-9-5-4-6-10-13)19-14-11-7-8-12-15(14)20-17;1-18(2,3)17-19-15-12-8-7-11-14(15)16(20-17)13-9-5-4-6-10-13/h4-18H,1-3H3;3*4-14H,1-3H3;4-13H,1-3H3;4-12H,1-3H3;3*4-12H,1-3H3.
What are the key properties of 9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline?
9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline has a molecular weight of 2840.72 g/mol, XLogP of 49.81, 10 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline is sourced from PubChem (CID 165024987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).