4,6-di(anthracen-2-yl)-2-pyrimidin-2-ylpyrimidine;bis(4,6-di(phenanthren-9-yl)-2-pyrazin-2-ylpyrimidine);2-[4,6-di(phenanthren-2-yl)-2-pyridinyl]pyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-4-ylpyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-5-ylpyrimidine

C217H133N23 — CID 159751879

IUPAC4,6-di(anthracen-2-yl)-2-pyrimidin-2-ylpyrimidine;bis(4,6-di(phenanthren-9-yl)-2-pyrazin-2-ylpyrimidine);2-[4,6-di(phenanthren-2-yl)-2-pyridinyl]pyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-4-ylpyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-5-ylpyrimidine
SMILESc1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)nc(-c3ccncn3)n1)c1ccccc12.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)nc(-c3cnccn3)n1)c1ccccc12.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)nc(-c3cnccn3)n1)c1ccccc12.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)nc(-c3cncnc3)n1)c1ccccc12.c1cnc(-c2cc(-c3ccc4c(ccc5ccccc54)c3)cc(-c3ccc4c(ccc5ccccc54)c3)n2)nc1.c1cnc(-c2nc(-c3ccc4cc5ccccc5cc4c3)cc(-c3ccc4cc5ccccc5cc4c3)n2)nc1
InChIInChI=1S/C37H23N3.5C36H22N4/c1-3-8-31-24(6-1)10-12-27-20-26(14-16-33(27)31)30-22-35(40-36(23-30)37-38-18-5-19-39-37)29-15-17-34-28(21-29)13-11-25-7-2-4-9-32(25)34;1-3-11-26-23(9-1)17-32(30-15-7-5-13-28(26)30)34-19-35(40-36(39-34)25-20-37-22-38-21-25)33-18-24-10-2-4-12-27(24)29-14-6-8-16-31(29)33;2*1-3-11-25-23(9-1)19-31(29-15-7-5-13-27(25)29)33-21-34(40-36(39-33)35-22-37-17-18-38-35)32-20-24-10-2-4-12-26(24)28-14-6-8-16-30(28)32;1-3-11-25-23(9-1)19-31(29-15-7-5-13-27(25)29)34-21-35(40-36(39-34)33-17-18-37-22-38-33)32-20-24-10-2-4-12-26(24)28-14-6-8-16-30(28)32;1-3-8-25-18-31-20-29(12-10-27(31)16-23(25)6-1)33-22-34(40-36(39-33)35-37-14-5-15-38-35)30-13-11-28-17-24-7-2-4-9-26(24)19-32(28)21-30/h1-23H;5*1-22H
InChIKeyNDTFUVGUUKNWLY-UHFFFAOYSA-N
MW3062.61 g/mol
LogP53.89
Rot. Bonds18

About 4,6-di(anthracen-2-yl)-2-pyrimidin-2-ylpyrimidine;bis(4,6-di(phenanthren-9-yl)-2-pyrazin-2-ylpyrimidine);2-[4,6-di(phenanthren-2-yl)-2-pyridinyl]pyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-4-ylpyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-5-ylpyrimidine

4,6-di(anthracen-2-yl)-2-pyrimidin-2-ylpyrimidine;bis(4,6-di(phenanthren-9-yl)-2-pyrazin-2-ylpyrimidine);2-[4,6-di(phenanthren-2-yl)-2-pyridinyl]pyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-4-ylpyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-5-ylpyrimidine (PubChem CID 159751879) has the molecular formula C217H133N23 and a molecular weight of 3062.61 g/mol. Its IUPAC name is 4,6-di(anthracen-2-yl)-2-pyrimidin-2-ylpyrimidine;bis(4,6-di(phenanthren-9-yl)-2-pyrazin-2-ylpyrimidine);2-[4,6-di(phenanthren-2-yl)-2-pyridinyl]pyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-4-ylpyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-5-ylpyrimidine.

Molecular Properties

Compound Name4,6-di(anthracen-2-yl)-2-pyrimidin-2-ylpyrimidine;bis(4,6-di(phenanthren-9-yl)-2-pyrazin-2-ylpyrimidine);2-[4,6-di(phenanthren-2-yl)-2-pyridinyl]pyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-4-ylpyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-5-ylpyrimidine
PubChem CID159751879
Molecular FormulaC217H133N23
Molecular Weight3062.61 g/mol
Exact Mass3060.11
IUPAC Name4,6-di(anthracen-2-yl)-2-pyrimidin-2-ylpyrimidine;bis(4,6-di(phenanthren-9-yl)-2-pyrazin-2-ylpyrimidine);2-[4,6-di(phenanthren-2-yl)-2-pyridinyl]pyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-4-ylpyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-5-ylpyrimidine
SMILESc1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)nc(-c3ccncn3)n1)c1ccccc12.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)nc(-c3cnccn3)n1)c1ccccc12.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)nc(-c3cnccn3)n1)c1ccccc12.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)nc(-c3cncnc3)n1)c1ccccc12.c1cnc(-c2cc(-c3ccc4c(ccc5ccccc54)c3)cc(-c3ccc4c(ccc5ccccc54)c3)n2)nc1.c1cnc(-c2nc(-c3ccc4cc5ccccc5cc4c3)cc(-c3ccc4cc5ccccc5cc4c3)n2)nc1
InChIInChI=1S/C37H23N3.5C36H22N4/c1-3-8-31-24(6-1)10-12-27-20-26(14-16-33(27)31)30-22-35(40-36(23-30)37-38-18-5-19-39-37)29-15-17-34-28(21-29)13-11-25-7-2-4-9-32(25)34;1-3-11-26-23(9-1)17-32(30-15-7-5-13-28(26)30)34-19-35(40-36(39-34)25-20-37-22-38-21-25)33-18-24-10-2-4-12-27(24)29-14-6-8-16-31(29)33;2*1-3-11-25-23(9-1)19-31(29-15-7-5-13-27(25)29)33-21-34(40-36(39-33)35-22-37-17-18-38-35)32-20-24-10-2-4-12-26(24)28-14-6-8-16-30(28)32;1-3-11-25-23(9-1)19-31(29-15-7-5-13-27(25)29)34-21-35(40-36(39-34)33-17-18-37-22-38-33)32-20-24-10-2-4-12-26(24)28-14-6-8-16-30(28)32;1-3-8-25-18-31-20-29(12-10-27(31)16-23(25)6-1)33-22-34(40-36(39-33)35-37-14-5-15-38-35)30-13-11-28-17-24-7-2-4-9-26(24)19-32(28)21-30/h1-23H;5*1-22H
InChIKeyNDTFUVGUUKNWLY-UHFFFAOYSA-N
XLogP53.89
TPSA296.47 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003062.61
LogP ≤ 553.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,6-di(anthracen-2-yl)-2-pyrimidin-2-ylpyrimidine;bis(4,6-di(phenanthren-9-yl)-2-pyrazin-2-ylpyrimidine);2-[4,6-di(phenanthren-2-yl)-2-pyridinyl]pyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-4-ylpyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-5-ylpyrimidine with MolForge

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Related Compounds

4,6-Dimethyl-N'-(3-Pyridin-2-Ylisoquinolin-1-Yl)pyrimidine-2-Carboximidamide
CID 44363627
6-(4-methylphenyl)-7-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 10273318
2-[3-(2-methyl-3-pyridinyl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 58578167
4-Pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 3431450
2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 3477788
2-(2,6-dipyridin-2-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 4174337
7-(2-Aminopyrimidin-4-yl)-4-(4-methylphenyl)isoquinolin-1-amine
CID 44527450
7-(2-aminopyrimidin-4-yl)-4-[(E)-2-phenylethenyl]isoquinolin-1-amine
CID 44529971
7-[2-(Pyridin-3-ylmethylamino)pyrimidin-4-yl]isoquinolin-1-amine
CID 44530477
N,N-dimethyl-2-[4-[6-[(4-propan-2-ylphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine
CID 127041889
6-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
CID 155513851
8-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
CID 155528067

Frequently Asked Questions

What is the IUPAC name of 4,6-di(anthracen-2-yl)-2-pyrimidin-2-ylpyrimidine;bis(4,6-di(phenanthren-9-yl)-2-pyrazin-2-ylpyrimidine);2-[4,6-di(phenanthren-2-yl)-2-pyridinyl]pyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-4-ylpyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-5-ylpyrimidine?
The IUPAC name of 4,6-di(anthracen-2-yl)-2-pyrimidin-2-ylpyrimidine;bis(4,6-di(phenanthren-9-yl)-2-pyrazin-2-ylpyrimidine);2-[4,6-di(phenanthren-2-yl)-2-pyridinyl]pyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-4-ylpyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-5-ylpyrimidine (CID 159751879) is 4,6-di(anthracen-2-yl)-2-pyrimidin-2-ylpyrimidine;bis(4,6-di(phenanthren-9-yl)-2-pyrazin-2-ylpyrimidine);2-[4,6-di(phenanthren-2-yl)-2-pyridinyl]pyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-4-ylpyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-5-ylpyrimidine.
What is the SMILES notation for 4,6-di(anthracen-2-yl)-2-pyrimidin-2-ylpyrimidine;bis(4,6-di(phenanthren-9-yl)-2-pyrazin-2-ylpyrimidine);2-[4,6-di(phenanthren-2-yl)-2-pyridinyl]pyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-4-ylpyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-5-ylpyrimidine?
The canonical SMILES for 4,6-di(anthracen-2-yl)-2-pyrimidin-2-ylpyrimidine;bis(4,6-di(phenanthren-9-yl)-2-pyrazin-2-ylpyrimidine);2-[4,6-di(phenanthren-2-yl)-2-pyridinyl]pyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-4-ylpyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-5-ylpyrimidine is c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)nc(-c3ccncn3)n1)c1ccccc12.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)nc(-c3cnccn3)n1)c1ccccc12.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)nc(-c3cnccn3)n1)c1ccccc12.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)nc(-c3cncnc3)n1)c1ccccc12.c1cnc(-c2cc(-c3ccc4c(ccc5ccccc54)c3)cc(-c3ccc4c(ccc5ccccc54)c3)n2)nc1.c1cnc(-c2nc(-c3ccc4cc5ccccc5cc4c3)cc(-c3ccc4cc5ccccc5cc4c3)n2)nc1.
What is the InChIKey of 4,6-di(anthracen-2-yl)-2-pyrimidin-2-ylpyrimidine;bis(4,6-di(phenanthren-9-yl)-2-pyrazin-2-ylpyrimidine);2-[4,6-di(phenanthren-2-yl)-2-pyridinyl]pyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-4-ylpyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-5-ylpyrimidine?
The InChIKey is NDTFUVGUUKNWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3.5C36H22N4/c1-3-8-31-24(6-1)10-12-27-20-26(14-16-33(27)31)30-22-35(40-36(23-30)37-38-18-5-19-39-37)29-15-17-34-28(21-29)13-11-25-7-2-4-9-32(25)34;1-3-11-26-23(9-1)17-32(30-15-7-5-13-28(26)30)34-19-35(40-36(39-34)25-20-37-22-38-21-25)33-18-24-10-2-4-12-27(24)29-14-6-8-16-31(29)33;2*1-3-11-25-23(9-1)19-31(29-15-7-5-13-27(25)29)33-21-34(40-36(39-33)35-22-37-17-18-38-35)32-20-24-10-2-4-12-26(24)28-14-6-8-16-30(28)32;1-3-11-25-23(9-1)19-31(29-15-7-5-13-27(25)29)34-21-35(40-36(39-34)33-17-18-37-22-38-33)32-20-24-10-2-4-12-26(24)28-14-6-8-16-30(28)32;1-3-8-25-18-31-20-29(12-10-27(31)16-23(25)6-1)33-22-34(40-36(39-33)35-37-14-5-15-38-35)30-13-11-28-17-24-7-2-4-9-26(24)19-32(28)21-30/h1-23H;5*1-22H.
What are the key properties of 4,6-di(anthracen-2-yl)-2-pyrimidin-2-ylpyrimidine;bis(4,6-di(phenanthren-9-yl)-2-pyrazin-2-ylpyrimidine);2-[4,6-di(phenanthren-2-yl)-2-pyridinyl]pyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-4-ylpyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-5-ylpyrimidine?
4,6-di(anthracen-2-yl)-2-pyrimidin-2-ylpyrimidine;bis(4,6-di(phenanthren-9-yl)-2-pyrazin-2-ylpyrimidine);2-[4,6-di(phenanthren-2-yl)-2-pyridinyl]pyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-4-ylpyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-5-ylpyrimidine has a molecular weight of 3062.61 g/mol, XLogP of 53.89, 18 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(anthracen-2-yl)-2-pyrimidin-2-ylpyrimidine;bis(4,6-di(phenanthren-9-yl)-2-pyrazin-2-ylpyrimidine);2-[4,6-di(phenanthren-2-yl)-2-pyridinyl]pyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-4-ylpyrimidine;4,6-di(phenanthren-9-yl)-2-pyrimidin-5-ylpyrimidine is sourced from PubChem (CID 159751879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).