5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine

C130H88N14 — CID 165097309

IUPAC5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine
SMILESc1cc(-c2ccncc2)cc(-c2cccc(-c3cc(-c4cncnc4)cc(-c4cccc(-c5cccc(-c6ccncc6)c5)c4)c3)c2)c1.c1cc(-c2cncnc2)cc(-c2cccc(-c3cc(-c4cncnc4)cc(-c4cccc(-c5cccc(-c6cncnc6)c5)c4)c3)c2)c1.c1cncc(-c2cccc(-c3cccc(-c4cc(-c5cncnc5)cc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)c4)c3)c2)c1
InChIInChI=1S/2C44H30N4.C42H28N6/c1-7-31(19-35(11-1)39-15-5-17-45-26-39)33-9-3-13-37(21-33)41-23-42(25-43(24-41)44-28-47-30-48-29-44)38-14-4-10-34(22-38)32-8-2-12-36(20-32)40-16-6-18-46-27-40;1-5-33(31-13-17-45-18-14-31)21-35(7-1)37-9-3-11-39(23-37)41-25-42(27-43(26-41)44-28-47-30-48-29-44)40-12-4-10-38(24-40)36-8-2-6-34(22-36)32-15-19-46-20-16-32;1-5-29(31-7-3-11-35(15-31)40-20-43-26-44-21-40)13-33(9-1)37-17-38(19-39(18-37)42-24-47-28-48-25-42)34-10-2-6-30(14-34)32-8-4-12-36(16-32)41-22-45-27-46-23-41/h2*1-30H;1-28H
InChIKeyXSKVMDFSLGCXDB-UHFFFAOYSA-N
MW1846.23 g/mol
LogP31.60
Rot. Bonds21

About 5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine

5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine (PubChem CID 165097309) has the molecular formula C130H88N14 and a molecular weight of 1846.23 g/mol. Its IUPAC name is 5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine
PubChem CID165097309
Molecular FormulaC130H88N14
Molecular Weight1846.23 g/mol
Exact Mass1844.73
IUPAC Name5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine
SMILESc1cc(-c2ccncc2)cc(-c2cccc(-c3cc(-c4cncnc4)cc(-c4cccc(-c5cccc(-c6ccncc6)c5)c4)c3)c2)c1.c1cc(-c2cncnc2)cc(-c2cccc(-c3cc(-c4cncnc4)cc(-c4cccc(-c5cccc(-c6cncnc6)c5)c4)c3)c2)c1.c1cncc(-c2cccc(-c3cccc(-c4cc(-c5cncnc5)cc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)c4)c3)c2)c1
InChIInChI=1S/2C44H30N4.C42H28N6/c1-7-31(19-35(11-1)39-15-5-17-45-26-39)33-9-3-13-37(21-33)41-23-42(25-43(24-41)44-28-47-30-48-29-44)38-14-4-10-34(22-38)32-8-2-12-36(20-32)40-16-6-18-46-27-40;1-5-33(31-13-17-45-18-14-31)21-35(7-1)37-9-3-11-39(23-37)41-25-42(27-43(26-41)44-28-47-30-48-29-44)40-12-4-10-38(24-40)36-8-2-6-34(22-36)32-15-19-46-20-16-32;1-5-29(31-7-3-11-35(15-31)40-20-43-26-44-21-40)13-33(9-1)37-17-38(19-39(18-37)42-24-47-28-48-25-42)34-10-2-6-30(14-34)32-8-4-12-36(16-32)41-22-45-27-46-23-41/h2*1-30H;1-28H
InChIKeyXSKVMDFSLGCXDB-UHFFFAOYSA-N
XLogP31.60
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001846.23
LogP ≤ 531.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine?
The IUPAC name of 5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine (CID 165097309) is 5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine.
What is the SMILES notation for 5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine?
The canonical SMILES for 5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine is c1cc(-c2ccncc2)cc(-c2cccc(-c3cc(-c4cncnc4)cc(-c4cccc(-c5cccc(-c6ccncc6)c5)c4)c3)c2)c1.c1cc(-c2cncnc2)cc(-c2cccc(-c3cc(-c4cncnc4)cc(-c4cccc(-c5cccc(-c6cncnc6)c5)c4)c3)c2)c1.c1cncc(-c2cccc(-c3cccc(-c4cc(-c5cncnc5)cc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)c4)c3)c2)c1.
What is the InChIKey of 5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine?
The InChIKey is XSKVMDFSLGCXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H30N4.C42H28N6/c1-7-31(19-35(11-1)39-15-5-17-45-26-39)33-9-3-13-37(21-33)41-23-42(25-43(24-41)44-28-47-30-48-29-44)38-14-4-10-34(22-38)32-8-2-12-36(20-32)40-16-6-18-46-27-40;1-5-33(31-13-17-45-18-14-31)21-35(7-1)37-9-3-11-39(23-37)41-25-42(27-43(26-41)44-28-47-30-48-29-44)40-12-4-10-38(24-40)36-8-2-6-34(22-36)32-15-19-46-20-16-32;1-5-29(31-7-3-11-35(15-31)40-20-43-26-44-21-40)13-33(9-1)37-17-38(19-39(18-37)42-24-47-28-48-25-42)34-10-2-6-30(14-34)32-8-4-12-36(16-32)41-22-45-27-46-23-41/h2*1-30H;1-28H.
What are the key properties of 5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine?
5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine has a molecular weight of 1846.23 g/mol, XLogP of 31.60, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine is sourced from PubChem (CID 165097309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).