2-[3,5-bis(5-methylpyrimidin-2-yl)phenyl]-5-methylpyrimidine;2-[3,5-bis(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;10-methylacridin-9-one;pyrazine;1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine

C157H189N15OS3 — CID 157352888

IUPAC2-[3,5-bis(5-methylpyrimidin-2-yl)phenyl]-5-methylpyrimidine;2-[3,5-bis(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;10-methylacridin-9-one;pyrazine;1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2cc(-c3ccc(C)s3)cc(-c3ccc(C)s3)c2)s1.Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)n2)cc1.Cc1cnc(-c2cc(-c3ncc(C)cn3)cc(-c3ncc(C)cn3)c2)nc1.Cn1c2ccccc2c(=O)c2ccccc21.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1cnccn1.c1ncncn1
InChIInChI=1S/C42H30.C24H21N3.C21H18N6.C21H18S3.C14H11NO.C4H4N2.C3H3N3.14C2H6/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33;1-16-4-10-19(11-5-16)22-25-23(20-12-6-17(2)7-13-20)27-24(26-22)21-14-8-18(3)9-15-21;1-13-7-22-19(23-8-13)16-4-17(20-24-9-14(2)10-25-20)6-18(5-16)21-26-11-15(3)12-27-21;1-13-4-7-19(22-13)16-10-17(20-8-5-14(2)23-20)12-18(11-16)21-9-6-15(3)24-21;1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15;1-2-6-4-3-5-1;1-4-2-6-3-5-1;14*1-2/h1-30H;4-15H,1-3H3;4-12H,1-3H3;4-12H,1-3H3;2-9H,1H3;1-4H;1-3H;14*1-2H3
InChIKeyBHSWTXYRPAHDCX-UHFFFAOYSA-N
MW2398.54 g/mol
LogP46.67
Rot. Bonds15

About 2-[3,5-bis(5-methylpyrimidin-2-yl)phenyl]-5-methylpyrimidine;2-[3,5-bis(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;10-methylacridin-9-one;pyrazine;1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine

2-[3,5-bis(5-methylpyrimidin-2-yl)phenyl]-5-methylpyrimidine;2-[3,5-bis(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;10-methylacridin-9-one;pyrazine;1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine (PubChem CID 157352888) has the molecular formula C157H189N15OS3 and a molecular weight of 2398.54 g/mol. Its IUPAC name is 2-[3,5-bis(5-methylpyrimidin-2-yl)phenyl]-5-methylpyrimidine;2-[3,5-bis(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;10-methylacridin-9-one;pyrazine;1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-bis(5-methylpyrimidin-2-yl)phenyl]-5-methylpyrimidine;2-[3,5-bis(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;10-methylacridin-9-one;pyrazine;1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine
PubChem CID157352888
Molecular FormulaC157H189N15OS3
Molecular Weight2398.54 g/mol
Exact Mass2396.44
IUPAC Name2-[3,5-bis(5-methylpyrimidin-2-yl)phenyl]-5-methylpyrimidine;2-[3,5-bis(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;10-methylacridin-9-one;pyrazine;1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2cc(-c3ccc(C)s3)cc(-c3ccc(C)s3)c2)s1.Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)n2)cc1.Cc1cnc(-c2cc(-c3ncc(C)cn3)cc(-c3ncc(C)cn3)c2)nc1.Cn1c2ccccc2c(=O)c2ccccc21.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1cnccn1.c1ncncn1
InChIInChI=1S/C42H30.C24H21N3.C21H18N6.C21H18S3.C14H11NO.C4H4N2.C3H3N3.14C2H6/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33;1-16-4-10-19(11-5-16)22-25-23(20-12-6-17(2)7-13-20)27-24(26-22)21-14-8-18(3)9-15-21;1-13-7-22-19(23-8-13)16-4-17(20-24-9-14(2)10-25-20)6-18(5-16)21-26-11-15(3)12-27-21;1-13-4-7-19(22-13)16-10-17(20-8-5-14(2)23-20)12-18(11-16)21-9-6-15(3)24-21;1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15;1-2-6-4-3-5-1;1-4-2-6-3-5-1;14*1-2/h1-30H;4-15H,1-3H3;4-12H,1-3H3;4-12H,1-3H3;2-9H,1H3;1-4H;1-3H;14*1-2H3
InChIKeyBHSWTXYRPAHDCX-UHFFFAOYSA-N
XLogP46.67
TPSA202.46 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002398.54
LogP ≤ 546.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[3,5-bis(5-methylpyrimidin-2-yl)phenyl]-5-methylpyrimidine;2-[3,5-bis(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;10-methylacridin-9-one;pyrazine;1,3,5-triazine;2,4,6-tris(4-methylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(5-methylpyrimidin-2-yl)phenyl]-5-methylpyrimidine;2-[3,5-bis(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;10-methylacridin-9-one;pyrazine;1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3,5-bis(5-methylpyrimidin-2-yl)phenyl]-5-methylpyrimidine;2-[3,5-bis(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;10-methylacridin-9-one;pyrazine;1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine (CID 157352888) is 2-[3,5-bis(5-methylpyrimidin-2-yl)phenyl]-5-methylpyrimidine;2-[3,5-bis(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;10-methylacridin-9-one;pyrazine;1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-bis(5-methylpyrimidin-2-yl)phenyl]-5-methylpyrimidine;2-[3,5-bis(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;10-methylacridin-9-one;pyrazine;1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3,5-bis(5-methylpyrimidin-2-yl)phenyl]-5-methylpyrimidine;2-[3,5-bis(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;10-methylacridin-9-one;pyrazine;1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2cc(-c3ccc(C)s3)cc(-c3ccc(C)s3)c2)s1.Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)n2)cc1.Cc1cnc(-c2cc(-c3ncc(C)cn3)cc(-c3ncc(C)cn3)c2)nc1.Cn1c2ccccc2c(=O)c2ccccc21.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1cnccn1.c1ncncn1.
What is the InChIKey of 2-[3,5-bis(5-methylpyrimidin-2-yl)phenyl]-5-methylpyrimidine;2-[3,5-bis(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;10-methylacridin-9-one;pyrazine;1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine?
The InChIKey is BHSWTXYRPAHDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30.C24H21N3.C21H18N6.C21H18S3.C14H11NO.C4H4N2.C3H3N3.14C2H6/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33;1-16-4-10-19(11-5-16)22-25-23(20-12-6-17(2)7-13-20)27-24(26-22)21-14-8-18(3)9-15-21;1-13-7-22-19(23-8-13)16-4-17(20-24-9-14(2)10-25-20)6-18(5-16)21-26-11-15(3)12-27-21;1-13-4-7-19(22-13)16-10-17(20-8-5-14(2)23-20)12-18(11-16)21-9-6-15(3)24-21;1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15;1-2-6-4-3-5-1;1-4-2-6-3-5-1;14*1-2/h1-30H;4-15H,1-3H3;4-12H,1-3H3;4-12H,1-3H3;2-9H,1H3;1-4H;1-3H;14*1-2H3.
What are the key properties of 2-[3,5-bis(5-methylpyrimidin-2-yl)phenyl]-5-methylpyrimidine;2-[3,5-bis(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;10-methylacridin-9-one;pyrazine;1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine?
2-[3,5-bis(5-methylpyrimidin-2-yl)phenyl]-5-methylpyrimidine;2-[3,5-bis(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;10-methylacridin-9-one;pyrazine;1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine has a molecular weight of 2398.54 g/mol, XLogP of 46.67, 15 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(5-methylpyrimidin-2-yl)phenyl]-5-methylpyrimidine;2-[3,5-bis(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;10-methylacridin-9-one;pyrazine;1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 157352888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).