4-phenyl-2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;1-pyrrol-1-yl-3-[(1-pyrrol-1-ylisoquinolin-3-yl)methyl]isoquinoline;1-pyrrol-1-yl-3-[(6-pyrrol-1-yl-2-pyridinyl)methyl]isoquinoline;2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-benzothiazole;2-[3-[[3-(1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-1,3,5-triazine

C136H104N24S2 — CID 159120579

IUPAC4-phenyl-2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;1-pyrrol-1-yl-3-[(1-pyrrol-1-ylisoquinolin-3-yl)methyl]isoquinoline;1-pyrrol-1-yl-3-[(6-pyrrol-1-yl-2-pyridinyl)methyl]isoquinoline;2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-benzothiazole;2-[3-[[3-(1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-1,3,5-triazine
SMILESc1cc(Cc2cc3ccccc3c(-n3cccc3)n2)nc(-n2cccc2)c1.c1cc(Cc2cccc(-c3nc4ccccc4s3)c2)cc(-c2nccs2)c1.c1cc(Cc2cccc(-c3ncncn3)c2)cc(-c2ncncn2)c1.c1cc(Cc2cccc(-n3cccc3)n2)nc(-n2cccc2)c1.c1ccc(-c2cc(Cc3cccc(-n4cccc4)n3)nc(-n3cccc3)c2)cc1.c1ccc2c(-n3cccc3)nc(Cc3cc4ccccc4c(-n4cccc4)n3)cc2c1
InChIInChI=1S/C27H20N4.C25H20N4.C23H18N4.C23H16N2S2.C19H14N6.C19H16N4/c1-3-11-24-20(9-1)17-22(28-26(24)30-13-5-6-14-30)19-23-18-21-10-2-4-12-25(21)27(29-23)31-15-7-8-16-31;1-2-9-20(10-3-1)21-17-23(27-25(18-21)29-15-6-7-16-29)19-22-11-8-12-24(26-22)28-13-4-5-14-28;1-2-10-21-18(8-1)16-20(25-23(21)27-14-5-6-15-27)17-19-9-7-11-22(24-19)26-12-3-4-13-26;1-2-10-21-20(9-1)25-23(27-21)19-8-4-6-17(15-19)13-16-5-3-7-18(14-16)22-24-11-12-26-22;1-3-14(8-16(5-1)18-22-10-20-11-23-18)7-15-4-2-6-17(9-15)19-24-12-21-13-25-19;1-2-12-22(11-1)18-9-5-7-16(20-18)15-17-8-6-10-19(21-17)23-13-3-4-14-23/h1-18H,19H2;1-18H,19H2;1-16H,17H2;1-12,14-15H,13H2;1-6,8-13H,7H2;1-14H,15H2
InChIKeyKFQLBAWPLRTDJQ-UHFFFAOYSA-N
MW2138.63 g/mol
LogP29.38
Rot. Bonds25

About 4-phenyl-2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;1-pyrrol-1-yl-3-[(1-pyrrol-1-ylisoquinolin-3-yl)methyl]isoquinoline;1-pyrrol-1-yl-3-[(6-pyrrol-1-yl-2-pyridinyl)methyl]isoquinoline;2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-benzothiazole;2-[3-[[3-(1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-1,3,5-triazine

4-phenyl-2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;1-pyrrol-1-yl-3-[(1-pyrrol-1-ylisoquinolin-3-yl)methyl]isoquinoline;1-pyrrol-1-yl-3-[(6-pyrrol-1-yl-2-pyridinyl)methyl]isoquinoline;2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-benzothiazole;2-[3-[[3-(1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-1,3,5-triazine (PubChem CID 159120579) has the molecular formula C136H104N24S2 and a molecular weight of 2138.63 g/mol. Its IUPAC name is 4-phenyl-2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;1-pyrrol-1-yl-3-[(1-pyrrol-1-ylisoquinolin-3-yl)methyl]isoquinoline;1-pyrrol-1-yl-3-[(6-pyrrol-1-yl-2-pyridinyl)methyl]isoquinoline;2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-benzothiazole;2-[3-[[3-(1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name4-phenyl-2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;1-pyrrol-1-yl-3-[(1-pyrrol-1-ylisoquinolin-3-yl)methyl]isoquinoline;1-pyrrol-1-yl-3-[(6-pyrrol-1-yl-2-pyridinyl)methyl]isoquinoline;2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-benzothiazole;2-[3-[[3-(1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-1,3,5-triazine
PubChem CID159120579
Molecular FormulaC136H104N24S2
Molecular Weight2138.63 g/mol
Exact Mass2136.83
IUPAC Name4-phenyl-2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;1-pyrrol-1-yl-3-[(1-pyrrol-1-ylisoquinolin-3-yl)methyl]isoquinoline;1-pyrrol-1-yl-3-[(6-pyrrol-1-yl-2-pyridinyl)methyl]isoquinoline;2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-benzothiazole;2-[3-[[3-(1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-1,3,5-triazine
SMILESc1cc(Cc2cc3ccccc3c(-n3cccc3)n2)nc(-n2cccc2)c1.c1cc(Cc2cccc(-c3nc4ccccc4s3)c2)cc(-c2nccs2)c1.c1cc(Cc2cccc(-c3ncncn3)c2)cc(-c2ncncn2)c1.c1cc(Cc2cccc(-n3cccc3)n2)nc(-n2cccc2)c1.c1ccc(-c2cc(Cc3cccc(-n4cccc4)n3)nc(-n3cccc3)c2)cc1.c1ccc2c(-n3cccc3)nc(Cc3cc4ccccc4c(-n4cccc4)n3)cc2c1
InChIInChI=1S/C27H20N4.C25H20N4.C23H18N4.C23H16N2S2.C19H14N6.C19H16N4/c1-3-11-24-20(9-1)17-22(28-26(24)30-13-5-6-14-30)19-23-18-21-10-2-4-12-25(21)27(29-23)31-15-7-8-16-31;1-2-9-20(10-3-1)21-17-23(27-25(18-21)29-15-6-7-16-29)19-22-11-8-12-24(26-22)28-13-4-5-14-28;1-2-10-21-18(8-1)16-20(25-23(21)27-14-5-6-15-27)17-19-9-7-11-22(24-19)26-12-3-4-13-26;1-2-10-21-20(9-1)25-23(27-21)19-8-4-6-17(15-19)13-16-5-3-7-18(14-16)22-24-11-12-26-22;1-3-14(8-16(5-1)18-22-10-20-11-23-18)7-15-4-2-6-17(9-15)19-24-12-21-13-25-19;1-2-12-22(11-1)18-9-5-7-16(20-18)15-17-8-6-10-19(21-17)23-13-3-4-14-23/h1-18H,19H2;1-18H,19H2;1-16H,17H2;1-12,14-15H,13H2;1-6,8-13H,7H2;1-14H,15H2
InChIKeyKFQLBAWPLRTDJQ-UHFFFAOYSA-N
XLogP29.38
TPSA245.68 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002138.63
LogP ≤ 529.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 4-phenyl-2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;1-pyrrol-1-yl-3-[(1-pyrrol-1-ylisoquinolin-3-yl)methyl]isoquinoline;1-pyrrol-1-yl-3-[(6-pyrrol-1-yl-2-pyridinyl)methyl]isoquinoline;2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-benzothiazole;2-[3-[[3-(1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;1-pyrrol-1-yl-3-[(1-pyrrol-1-ylisoquinolin-3-yl)methyl]isoquinoline;1-pyrrol-1-yl-3-[(6-pyrrol-1-yl-2-pyridinyl)methyl]isoquinoline;2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-benzothiazole;2-[3-[[3-(1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-1,3,5-triazine?
The IUPAC name of 4-phenyl-2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;1-pyrrol-1-yl-3-[(1-pyrrol-1-ylisoquinolin-3-yl)methyl]isoquinoline;1-pyrrol-1-yl-3-[(6-pyrrol-1-yl-2-pyridinyl)methyl]isoquinoline;2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-benzothiazole;2-[3-[[3-(1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-1,3,5-triazine (CID 159120579) is 4-phenyl-2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;1-pyrrol-1-yl-3-[(1-pyrrol-1-ylisoquinolin-3-yl)methyl]isoquinoline;1-pyrrol-1-yl-3-[(6-pyrrol-1-yl-2-pyridinyl)methyl]isoquinoline;2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-benzothiazole;2-[3-[[3-(1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 4-phenyl-2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;1-pyrrol-1-yl-3-[(1-pyrrol-1-ylisoquinolin-3-yl)methyl]isoquinoline;1-pyrrol-1-yl-3-[(6-pyrrol-1-yl-2-pyridinyl)methyl]isoquinoline;2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-benzothiazole;2-[3-[[3-(1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 4-phenyl-2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;1-pyrrol-1-yl-3-[(1-pyrrol-1-ylisoquinolin-3-yl)methyl]isoquinoline;1-pyrrol-1-yl-3-[(6-pyrrol-1-yl-2-pyridinyl)methyl]isoquinoline;2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-benzothiazole;2-[3-[[3-(1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-1,3,5-triazine is c1cc(Cc2cc3ccccc3c(-n3cccc3)n2)nc(-n2cccc2)c1.c1cc(Cc2cccc(-c3nc4ccccc4s3)c2)cc(-c2nccs2)c1.c1cc(Cc2cccc(-c3ncncn3)c2)cc(-c2ncncn2)c1.c1cc(Cc2cccc(-n3cccc3)n2)nc(-n2cccc2)c1.c1ccc(-c2cc(Cc3cccc(-n4cccc4)n3)nc(-n3cccc3)c2)cc1.c1ccc2c(-n3cccc3)nc(Cc3cc4ccccc4c(-n4cccc4)n3)cc2c1.
What is the InChIKey of 4-phenyl-2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;1-pyrrol-1-yl-3-[(1-pyrrol-1-ylisoquinolin-3-yl)methyl]isoquinoline;1-pyrrol-1-yl-3-[(6-pyrrol-1-yl-2-pyridinyl)methyl]isoquinoline;2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-benzothiazole;2-[3-[[3-(1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-1,3,5-triazine?
The InChIKey is KFQLBAWPLRTDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4.C25H20N4.C23H18N4.C23H16N2S2.C19H14N6.C19H16N4/c1-3-11-24-20(9-1)17-22(28-26(24)30-13-5-6-14-30)19-23-18-21-10-2-4-12-25(21)27(29-23)31-15-7-8-16-31;1-2-9-20(10-3-1)21-17-23(27-25(18-21)29-15-6-7-16-29)19-22-11-8-12-24(26-22)28-13-4-5-14-28;1-2-10-21-18(8-1)16-20(25-23(21)27-14-5-6-15-27)17-19-9-7-11-22(24-19)26-12-3-4-13-26;1-2-10-21-20(9-1)25-23(27-21)19-8-4-6-17(15-19)13-16-5-3-7-18(14-16)22-24-11-12-26-22;1-3-14(8-16(5-1)18-22-10-20-11-23-18)7-15-4-2-6-17(9-15)19-24-12-21-13-25-19;1-2-12-22(11-1)18-9-5-7-16(20-18)15-17-8-6-10-19(21-17)23-13-3-4-14-23/h1-18H,19H2;1-18H,19H2;1-16H,17H2;1-12,14-15H,13H2;1-6,8-13H,7H2;1-14H,15H2.
What are the key properties of 4-phenyl-2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;1-pyrrol-1-yl-3-[(1-pyrrol-1-ylisoquinolin-3-yl)methyl]isoquinoline;1-pyrrol-1-yl-3-[(6-pyrrol-1-yl-2-pyridinyl)methyl]isoquinoline;2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-benzothiazole;2-[3-[[3-(1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-1,3,5-triazine?
4-phenyl-2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;1-pyrrol-1-yl-3-[(1-pyrrol-1-ylisoquinolin-3-yl)methyl]isoquinoline;1-pyrrol-1-yl-3-[(6-pyrrol-1-yl-2-pyridinyl)methyl]isoquinoline;2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-benzothiazole;2-[3-[[3-(1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-1,3,5-triazine has a molecular weight of 2138.63 g/mol, XLogP of 29.38, 25 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;1-pyrrol-1-yl-3-[(1-pyrrol-1-ylisoquinolin-3-yl)methyl]isoquinoline;1-pyrrol-1-yl-3-[(6-pyrrol-1-yl-2-pyridinyl)methyl]isoquinoline;2-pyrrol-1-yl-6-[(6-pyrrol-1-yl-2-pyridinyl)methyl]pyridine;2-[3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]phenyl]-1,3-benzothiazole;2-[3-[[3-(1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 159120579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).