6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine

C76H48N14 — CID 102119694

IUPAC6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc(-c5ccc(-c6ccc(-c7cccc(-c8cccc(-c9ccccn9)n8)n7)c(-c7cccc(-c8cccc(-c9ccccn9)n8)n7)n6)cc5)nc4-c4cccc(-c5cccc(-c6ccccn6)n5)n4)n3)n2)nc1
InChIInChI=1S/C76H48N14/c1-5-45-77-57(17-1)61-23-11-29-67(83-61)65-27-9-21-55(81-65)51-41-43-53(89-75(51)73-35-15-33-71(87-73)69-31-13-25-63(85-69)59-19-3-7-47-79-59)49-37-39-50(40-38-49)54-44-42-52(56-22-10-28-66(82-56)68-30-12-24-62(84-68)58-18-2-6-46-78-58)76(90-54)74-36-16-34-72(88-74)70-32-14-26-64(86-70)60-20-4-8-48-80-60/h1-48H
InChIKeyLZJUCPMSFVRRIE-UHFFFAOYSA-N
MW1157.32 g/mol
LogP16.55
Rot. Bonds14

About 6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine

6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine (PubChem CID 102119694) has the molecular formula C76H48N14 and a molecular weight of 1157.32 g/mol. Its IUPAC name is 6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine
PubChem CID102119694
Molecular FormulaC76H48N14
Molecular Weight1157.32 g/mol
Exact Mass1156.42
IUPAC Name6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc(-c5ccc(-c6ccc(-c7cccc(-c8cccc(-c9ccccn9)n8)n7)c(-c7cccc(-c8cccc(-c9ccccn9)n8)n7)n6)cc5)nc4-c4cccc(-c5cccc(-c6ccccn6)n5)n4)n3)n2)nc1
InChIInChI=1S/C76H48N14/c1-5-45-77-57(17-1)61-23-11-29-67(83-61)65-27-9-21-55(81-65)51-41-43-53(89-75(51)73-35-15-33-71(87-73)69-31-13-25-63(85-69)59-19-3-7-47-79-59)49-37-39-50(40-38-49)54-44-42-52(56-22-10-28-66(82-56)68-30-12-24-62(84-68)58-18-2-6-46-78-58)76(90-54)74-36-16-34-72(88-74)70-32-14-26-64(86-70)60-20-4-8-48-80-60/h1-48H
InChIKeyLZJUCPMSFVRRIE-UHFFFAOYSA-N
XLogP16.55
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001157.32
LogP ≤ 516.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

3,6-diphenyl-2-pyridin-2-ylpyridine
CID 11652473
2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)
CID 161405876
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 159332179
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
2,6-dipyridin-2-ylpyridine;trichlorovanadium
CID 20784145
N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline
CID 122435802
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
2-[2-(2-phenylphenyl)-6-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine
CID 141341209
3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 102423646
2-[3-(2-chlorophenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 175989001
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine?
The IUPAC name of 6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine (CID 102119694) is 6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine?
The canonical SMILES for 6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine is c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5ccc(-c6ccc(-c7cccc(-c8cccc(-c9ccccn9)n8)n7)c(-c7cccc(-c8cccc(-c9ccccn9)n8)n7)n6)cc5)nc4-c4cccc(-c5cccc(-c6ccccn6)n5)n4)n3)n2)nc1.
What is the InChIKey of 6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine?
The InChIKey is LZJUCPMSFVRRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48N14/c1-5-45-77-57(17-1)61-23-11-29-67(83-61)65-27-9-21-55(81-65)51-41-43-53(89-75(51)73-35-15-33-71(87-73)69-31-13-25-63(85-69)59-19-3-7-47-79-59)49-37-39-50(40-38-49)54-44-42-52(56-22-10-28-66(82-56)68-30-12-24-62(84-68)58-18-2-6-46-78-58)76(90-54)74-36-16-34-72(88-74)70-32-14-26-64(86-70)60-20-4-8-48-80-60/h1-48H.
What are the key properties of 6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine?
6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine has a molecular weight of 1157.32 g/mol, XLogP of 16.55, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 102119694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).