5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine

C113H77N7 — CID 165106761

IUPAC5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc(-c6cncnc6)c5)c4)c3)cc(-c3cccc(-c4cccc(-c5cccc(-c6ccccn6)c5)c4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5cc(-c6cccnc6)cc(-c6cccc(-c7cccc(-c8cccc(-c9cncnc9)c8)c7)c6)c5)c4)c3)c2)nc1
InChIInChI=1S/C57H39N3.C56H38N4/c1-2-12-40(13-3-1)53-34-54(49-22-8-18-45(30-49)41-14-6-16-43(28-41)47-20-10-24-51(32-47)56-37-58-39-59-38-56)36-55(35-53)50-23-9-19-46(31-50)42-15-7-17-44(29-42)48-21-11-25-52(33-48)57-26-4-5-27-60-57;1-2-25-60-56(23-1)50-21-8-17-46(31-50)42-13-4-11-40(27-42)44-15-6-19-48(29-44)53-32-52(33-54(34-53)51-22-9-24-57-35-51)47-18-5-14-43(28-47)39-10-3-12-41(26-39)45-16-7-20-49(30-45)55-36-58-38-59-37-55/h1-39H;1-38H
InChIKeyZGRKVDDTVKCMEV-UHFFFAOYSA-N
MW1532.91 g/mol
LogP29.14
Rot. Bonds18

About 5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine

5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine (PubChem CID 165106761) has the molecular formula C113H77N7 and a molecular weight of 1532.91 g/mol. Its IUPAC name is 5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
PubChem CID165106761
Molecular FormulaC113H77N7
Molecular Weight1532.91 g/mol
Exact Mass1531.62
IUPAC Name5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc(-c6cncnc6)c5)c4)c3)cc(-c3cccc(-c4cccc(-c5cccc(-c6ccccn6)c5)c4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5cc(-c6cccnc6)cc(-c6cccc(-c7cccc(-c8cccc(-c9cncnc9)c8)c7)c6)c5)c4)c3)c2)nc1
InChIInChI=1S/C57H39N3.C56H38N4/c1-2-12-40(13-3-1)53-34-54(49-22-8-18-45(30-49)41-14-6-16-43(28-41)47-20-10-24-51(32-47)56-37-58-39-59-38-56)36-55(35-53)50-23-9-19-46(31-50)42-15-7-17-44(29-42)48-21-11-25-52(33-48)57-26-4-5-27-60-57;1-2-25-60-56(23-1)50-21-8-17-46(31-50)42-13-4-11-40(27-42)44-15-6-19-48(29-44)53-32-52(33-54(34-53)51-22-9-24-57-35-51)47-18-5-14-43(28-47)39-10-3-12-41(26-39)45-16-7-20-49(30-45)55-36-58-38-59-37-55/h1-39H;1-38H
InChIKeyZGRKVDDTVKCMEV-UHFFFAOYSA-N
XLogP29.14
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001532.91
LogP ≤ 529.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine with MolForge

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Related Compounds

bis(2-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine);3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine;4-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine
CID 167601942
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-3-ylphenyl)-2-pyridinyl]pyridine
CID 130326858
2-(3-phenylphenyl)-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-(3-phenylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;2,4,6-tris(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 158115571
2,6-dipyridin-2-yl-4-[4-(3-pyridin-3-ylphenyl)phenyl]pyridine
CID 126730922
2-methyl-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-methyl-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 162225760
5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 164785648
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
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine
CID 118583016
3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116854
3-(3,5-diphenylphenyl)pyridine
CID 141411458

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine?
The IUPAC name of 5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine (CID 165106761) is 5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine.
What is the SMILES notation for 5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine?
The canonical SMILES for 5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc(-c6cncnc6)c5)c4)c3)cc(-c3cccc(-c4cccc(-c5cccc(-c6ccccn6)c5)c4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5cc(-c6cccnc6)cc(-c6cccc(-c7cccc(-c8cccc(-c9cncnc9)c8)c7)c6)c5)c4)c3)c2)nc1.
What is the InChIKey of 5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine?
The InChIKey is ZGRKVDDTVKCMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3.C56H38N4/c1-2-12-40(13-3-1)53-34-54(49-22-8-18-45(30-49)41-14-6-16-43(28-41)47-20-10-24-51(32-47)56-37-58-39-59-38-56)36-55(35-53)50-23-9-19-46(31-50)42-15-7-17-44(29-42)48-21-11-25-52(33-48)57-26-4-5-27-60-57;1-2-25-60-56(23-1)50-21-8-17-46(31-50)42-13-4-11-40(27-42)44-15-6-19-48(29-44)53-32-52(33-54(34-53)51-22-9-24-57-35-51)47-18-5-14-43(28-47)39-10-3-12-41(26-39)45-16-7-20-49(30-45)55-36-58-38-59-37-55/h1-39H;1-38H.
What are the key properties of 5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine?
5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine has a molecular weight of 1532.91 g/mol, XLogP of 29.14, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine is sourced from PubChem (CID 165106761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).