2-[3,5-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,3-bis[3-(3,5-dimethylphenyl)phenyl]-5-undecan-6-ylbenzene;1-(3,5-dimethylphenyl)-3-[3-[3-(3,5-dimethylphenyl)-5-undecan-6-ylphenyl]-5-methylphenyl]-5-undecan-6-ylbenzene;5-[3-(3,5-dimethylphenyl)phenyl]-2-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine

C189H199N5 — CID 157420056

IUPAC2-[3,5-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,3-bis[3-(3,5-dimethylphenyl)phenyl]-5-undecan-6-ylbenzene;1-(3,5-dimethylphenyl)-3-[3-[3-(3,5-dimethylphenyl)-5-undecan-6-ylphenyl]-5-methylphenyl]-5-undecan-6-ylbenzene;5-[3-(3,5-dimethylphenyl)phenyl]-2-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine
SMILESCCCCCC(CCCCC)c1cc(-c2cc(C)cc(C)c2)cc(-c2cc(C)cc(-c3cc(-c4cc(C)cc(C)c4)cc(C(CCCCC)CCCCC)c3)c2)c1.CCCCCC(CCCCC)c1cc(-c2cccc(-c3cc(C)cc(C)c3)c2)cc(-c2cccc(-c3cc(C)cc(C)c3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3cc(-c4cccc(-c5cc(C)cc(C)c5)c4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3ccc(-c4ncc(-c5cccc(-c6cc(C)cc(C)c6)c5)cn4)cc3)c2)c1
InChIInChI=1S/C57H76.C49H39N3.C45H52.C38H32N2/c1-10-14-18-22-46(23-19-15-11-2)52-35-54(48-28-41(5)26-42(6)29-48)39-56(37-52)50-32-45(9)33-51(34-50)57-38-53(47(24-20-16-12-3)25-21-17-13-4)36-55(40-57)49-30-43(7)27-44(8)31-49;1-32-21-33(2)24-42(23-32)38-17-11-19-40(27-38)44-29-45(41-20-12-18-39(28-41)43-25-34(3)22-35(4)26-43)31-46(30-44)49-51-47(36-13-7-5-8-14-36)50-48(52-49)37-15-9-6-10-16-37;1-7-9-11-15-36(16-12-10-8-2)43-29-44(39-19-13-17-37(27-39)41-23-32(3)21-33(4)24-41)31-45(30-43)40-20-14-18-38(28-40)42-25-34(5)22-35(6)26-42;1-25-15-26(2)18-35(17-25)32-8-5-7-31(21-32)29-11-13-30(14-12-29)38-39-23-37(24-40-38)34-10-6-9-33(22-34)36-19-27(3)16-28(4)20-36/h26-40,46-47H,10-25H2,1-9H3;5-31H,1-4H3;13-14,17-31,36H,7-12,15-16H2,1-6H3;5-24H,1-4H3
InChIKeyBPHLTUNGUUDZSS-UHFFFAOYSA-N
MW2540.71 g/mol
LogP55.04
Rot. Bonds47

About 2-[3,5-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,3-bis[3-(3,5-dimethylphenyl)phenyl]-5-undecan-6-ylbenzene;1-(3,5-dimethylphenyl)-3-[3-[3-(3,5-dimethylphenyl)-5-undecan-6-ylphenyl]-5-methylphenyl]-5-undecan-6-ylbenzene;5-[3-(3,5-dimethylphenyl)phenyl]-2-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine

2-[3,5-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,3-bis[3-(3,5-dimethylphenyl)phenyl]-5-undecan-6-ylbenzene;1-(3,5-dimethylphenyl)-3-[3-[3-(3,5-dimethylphenyl)-5-undecan-6-ylphenyl]-5-methylphenyl]-5-undecan-6-ylbenzene;5-[3-(3,5-dimethylphenyl)phenyl]-2-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine (PubChem CID 157420056) has the molecular formula C189H199N5 and a molecular weight of 2540.71 g/mol. Its IUPAC name is 2-[3,5-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,3-bis[3-(3,5-dimethylphenyl)phenyl]-5-undecan-6-ylbenzene;1-(3,5-dimethylphenyl)-3-[3-[3-(3,5-dimethylphenyl)-5-undecan-6-ylphenyl]-5-methylphenyl]-5-undecan-6-ylbenzene;5-[3-(3,5-dimethylphenyl)phenyl]-2-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name2-[3,5-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,3-bis[3-(3,5-dimethylphenyl)phenyl]-5-undecan-6-ylbenzene;1-(3,5-dimethylphenyl)-3-[3-[3-(3,5-dimethylphenyl)-5-undecan-6-ylphenyl]-5-methylphenyl]-5-undecan-6-ylbenzene;5-[3-(3,5-dimethylphenyl)phenyl]-2-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine
PubChem CID157420056
Molecular FormulaC189H199N5
Molecular Weight2540.71 g/mol
Exact Mass2538.57
IUPAC Name2-[3,5-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,3-bis[3-(3,5-dimethylphenyl)phenyl]-5-undecan-6-ylbenzene;1-(3,5-dimethylphenyl)-3-[3-[3-(3,5-dimethylphenyl)-5-undecan-6-ylphenyl]-5-methylphenyl]-5-undecan-6-ylbenzene;5-[3-(3,5-dimethylphenyl)phenyl]-2-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine
SMILESCCCCCC(CCCCC)c1cc(-c2cc(C)cc(C)c2)cc(-c2cc(C)cc(-c3cc(-c4cc(C)cc(C)c4)cc(C(CCCCC)CCCCC)c3)c2)c1.CCCCCC(CCCCC)c1cc(-c2cccc(-c3cc(C)cc(C)c3)c2)cc(-c2cccc(-c3cc(C)cc(C)c3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3cc(-c4cccc(-c5cc(C)cc(C)c5)c4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3ccc(-c4ncc(-c5cccc(-c6cc(C)cc(C)c6)c5)cn4)cc3)c2)c1
InChIInChI=1S/C57H76.C49H39N3.C45H52.C38H32N2/c1-10-14-18-22-46(23-19-15-11-2)52-35-54(48-28-41(5)26-42(6)29-48)39-56(37-52)50-32-45(9)33-51(34-50)57-38-53(47(24-20-16-12-3)25-21-17-13-4)36-55(40-57)49-30-43(7)27-44(8)31-49;1-32-21-33(2)24-42(23-32)38-17-11-19-40(27-38)44-29-45(41-20-12-18-39(28-41)43-25-34(3)22-35(4)26-43)31-46(30-44)49-51-47(36-13-7-5-8-14-36)50-48(52-49)37-15-9-6-10-16-37;1-7-9-11-15-36(16-12-10-8-2)43-29-44(39-19-13-17-37(27-39)41-23-32(3)21-33(4)24-41)31-45(30-43)40-20-14-18-38(28-40)42-25-34(5)22-35(6)26-42;1-25-15-26(2)18-35(17-25)32-8-5-7-31(21-32)29-11-13-30(14-12-29)38-39-23-37(24-40-38)34-10-6-9-33(22-34)36-19-27(3)16-28(4)20-36/h26-40,46-47H,10-25H2,1-9H3;5-31H,1-4H3;13-14,17-31,36H,7-12,15-16H2,1-6H3;5-24H,1-4H3
InChIKeyBPHLTUNGUUDZSS-UHFFFAOYSA-N
XLogP55.04
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds47
Heavy Atoms194
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002540.71
LogP ≤ 555.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3,5-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,3-bis[3-(3,5-dimethylphenyl)phenyl]-5-undecan-6-ylbenzene;1-(3,5-dimethylphenyl)-3-[3-[3-(3,5-dimethylphenyl)-5-undecan-6-ylphenyl]-5-methylphenyl]-5-undecan-6-ylbenzene;5-[3-(3,5-dimethylphenyl)phenyl]-2-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,3-bis[3-(3,5-dimethylphenyl)phenyl]-5-undecan-6-ylbenzene;1-(3,5-dimethylphenyl)-3-[3-[3-(3,5-dimethylphenyl)-5-undecan-6-ylphenyl]-5-methylphenyl]-5-undecan-6-ylbenzene;5-[3-(3,5-dimethylphenyl)phenyl]-2-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine?
The IUPAC name of 2-[3,5-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,3-bis[3-(3,5-dimethylphenyl)phenyl]-5-undecan-6-ylbenzene;1-(3,5-dimethylphenyl)-3-[3-[3-(3,5-dimethylphenyl)-5-undecan-6-ylphenyl]-5-methylphenyl]-5-undecan-6-ylbenzene;5-[3-(3,5-dimethylphenyl)phenyl]-2-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine (CID 157420056) is 2-[3,5-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,3-bis[3-(3,5-dimethylphenyl)phenyl]-5-undecan-6-ylbenzene;1-(3,5-dimethylphenyl)-3-[3-[3-(3,5-dimethylphenyl)-5-undecan-6-ylphenyl]-5-methylphenyl]-5-undecan-6-ylbenzene;5-[3-(3,5-dimethylphenyl)phenyl]-2-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine.
What is the SMILES notation for 2-[3,5-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,3-bis[3-(3,5-dimethylphenyl)phenyl]-5-undecan-6-ylbenzene;1-(3,5-dimethylphenyl)-3-[3-[3-(3,5-dimethylphenyl)-5-undecan-6-ylphenyl]-5-methylphenyl]-5-undecan-6-ylbenzene;5-[3-(3,5-dimethylphenyl)phenyl]-2-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine?
The canonical SMILES for 2-[3,5-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,3-bis[3-(3,5-dimethylphenyl)phenyl]-5-undecan-6-ylbenzene;1-(3,5-dimethylphenyl)-3-[3-[3-(3,5-dimethylphenyl)-5-undecan-6-ylphenyl]-5-methylphenyl]-5-undecan-6-ylbenzene;5-[3-(3,5-dimethylphenyl)phenyl]-2-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine is CCCCCC(CCCCC)c1cc(-c2cc(C)cc(C)c2)cc(-c2cc(C)cc(-c3cc(-c4cc(C)cc(C)c4)cc(C(CCCCC)CCCCC)c3)c2)c1.CCCCCC(CCCCC)c1cc(-c2cccc(-c3cc(C)cc(C)c3)c2)cc(-c2cccc(-c3cc(C)cc(C)c3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3cc(-c4cccc(-c5cc(C)cc(C)c5)c4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3ccc(-c4ncc(-c5cccc(-c6cc(C)cc(C)c6)c5)cn4)cc3)c2)c1.
What is the InChIKey of 2-[3,5-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,3-bis[3-(3,5-dimethylphenyl)phenyl]-5-undecan-6-ylbenzene;1-(3,5-dimethylphenyl)-3-[3-[3-(3,5-dimethylphenyl)-5-undecan-6-ylphenyl]-5-methylphenyl]-5-undecan-6-ylbenzene;5-[3-(3,5-dimethylphenyl)phenyl]-2-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine?
The InChIKey is BPHLTUNGUUDZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H76.C49H39N3.C45H52.C38H32N2/c1-10-14-18-22-46(23-19-15-11-2)52-35-54(48-28-41(5)26-42(6)29-48)39-56(37-52)50-32-45(9)33-51(34-50)57-38-53(47(24-20-16-12-3)25-21-17-13-4)36-55(40-57)49-30-43(7)27-44(8)31-49;1-32-21-33(2)24-42(23-32)38-17-11-19-40(27-38)44-29-45(41-20-12-18-39(28-41)43-25-34(3)22-35(4)26-43)31-46(30-44)49-51-47(36-13-7-5-8-14-36)50-48(52-49)37-15-9-6-10-16-37;1-7-9-11-15-36(16-12-10-8-2)43-29-44(39-19-13-17-37(27-39)41-23-32(3)21-33(4)24-41)31-45(30-43)40-20-14-18-38(28-40)42-25-34(5)22-35(6)26-42;1-25-15-26(2)18-35(17-25)32-8-5-7-31(21-32)29-11-13-30(14-12-29)38-39-23-37(24-40-38)34-10-6-9-33(22-34)36-19-27(3)16-28(4)20-36/h26-40,46-47H,10-25H2,1-9H3;5-31H,1-4H3;13-14,17-31,36H,7-12,15-16H2,1-6H3;5-24H,1-4H3.
What are the key properties of 2-[3,5-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,3-bis[3-(3,5-dimethylphenyl)phenyl]-5-undecan-6-ylbenzene;1-(3,5-dimethylphenyl)-3-[3-[3-(3,5-dimethylphenyl)-5-undecan-6-ylphenyl]-5-methylphenyl]-5-undecan-6-ylbenzene;5-[3-(3,5-dimethylphenyl)phenyl]-2-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine?
2-[3,5-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,3-bis[3-(3,5-dimethylphenyl)phenyl]-5-undecan-6-ylbenzene;1-(3,5-dimethylphenyl)-3-[3-[3-(3,5-dimethylphenyl)-5-undecan-6-ylphenyl]-5-methylphenyl]-5-undecan-6-ylbenzene;5-[3-(3,5-dimethylphenyl)phenyl]-2-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine has a molecular weight of 2540.71 g/mol, XLogP of 55.04, 47 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,3-bis[3-(3,5-dimethylphenyl)phenyl]-5-undecan-6-ylbenzene;1-(3,5-dimethylphenyl)-3-[3-[3-(3,5-dimethylphenyl)-5-undecan-6-ylphenyl]-5-methylphenyl]-5-undecan-6-ylbenzene;5-[3-(3,5-dimethylphenyl)phenyl]-2-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine is sourced from PubChem (CID 157420056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).