5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine

C42H31N3O2 — CID 59538396

IUPAC5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine
SMILESc1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5ccc(C6OCCO6)nc5)c4)c3)c2)c1
InChIInChI=1S/C42H31N3O2/c1-6-29(35-12-4-16-43-26-35)20-32(9-1)38-23-39(33-10-2-7-30(21-33)36-13-5-17-44-27-36)25-40(24-38)34-11-3-8-31(22-34)37-14-15-41(45-28-37)42-46-18-19-47-42/h1-17,20-28,42H,18-19H2
InChIKeyNTUDZDLBKVFTAV-UHFFFAOYSA-N
MW609.73 g/mol
LogP9.92
Rot. Bonds7

About 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine

5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine (PubChem CID 59538396) has the molecular formula C42H31N3O2 and a molecular weight of 609.73 g/mol. Its IUPAC name is 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine.

Molecular Properties

Compound Name5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine
PubChem CID59538396
Molecular FormulaC42H31N3O2
Molecular Weight609.73 g/mol
Exact Mass609.24
IUPAC Name5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine
SMILESc1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5ccc(C6OCCO6)nc5)c4)c3)c2)c1
InChIInChI=1S/C42H31N3O2/c1-6-29(35-12-4-16-43-26-35)20-32(9-1)38-23-39(33-10-2-7-30(21-33)36-13-5-17-44-27-36)25-40(24-38)34-11-3-8-31(22-34)37-14-15-41(45-28-37)42-46-18-19-47-42/h1-17,20-28,42H,18-19H2
InChIKeyNTUDZDLBKVFTAV-UHFFFAOYSA-N
XLogP9.92
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.73
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
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3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655
3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine
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3-azulen-6-ylpyridine
CID 86232079
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-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
CID 158129947
5-[3-[3,5-bis[3-(6-methyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methylpyridine
CID 59412018
2,6-dipyridin-2-yl-4-[4-(3-pyridin-3-ylphenyl)phenyl]pyridine
CID 126730922
3-(3,5-diphenylphenyl)pyridine
CID 141411458
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
cyclopenta[c]azepine
CID 638010

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine?
The IUPAC name of 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine (CID 59538396) is 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine.
What is the SMILES notation for 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine?
The canonical SMILES for 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine is c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5ccc(C6OCCO6)nc5)c4)c3)c2)c1.
What is the InChIKey of 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine?
The InChIKey is NTUDZDLBKVFTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3O2/c1-6-29(35-12-4-16-43-26-35)20-32(9-1)38-23-39(33-10-2-7-30(21-33)36-13-5-17-44-27-36)25-40(24-38)34-11-3-8-31(22-34)37-14-15-41(45-28-37)42-46-18-19-47-42/h1-17,20-28,42H,18-19H2.
What are the key properties of 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine?
5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine has a molecular weight of 609.73 g/mol, XLogP of 9.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine is sourced from PubChem (CID 59538396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).