3,5-bis[(5R)-5-methyl-3-pyridin-3-ylcyclohepta-1,3,6-trien-1-yl]pyridine

C31H27N3 — CID 143898102

IUPAC3,5-bis[(5R)-5-methyl-3-pyridin-3-ylcyclohepta-1,3,6-trien-1-yl]pyridine
SMILESC[C@@H]1C=CC(c2cncc(C3=CC(c4cccnc4)=C[C@H](C)C=C3)c2)=CC(c2cccnc2)=C1
InChIInChI=1S/C31H27N3/c1-22-7-9-24(15-28(13-22)26-5-3-11-32-18-26)30-17-31(21-34-20-30)25-10-8-23(2)14-29(16-25)27-6-4-12-33-19-27/h3-23H,1-2H3/t22-,23-/m1/s1
InChIKeyJRTXFWFDEZTVOL-DHIUTWEWSA-N
MW441.58 g/mol
LogP7.22
Rot. Bonds4

About 3,5-bis[(5R)-5-methyl-3-pyridin-3-ylcyclohepta-1,3,6-trien-1-yl]pyridine

3,5-bis[(5R)-5-methyl-3-pyridin-3-ylcyclohepta-1,3,6-trien-1-yl]pyridine (PubChem CID 143898102) has the molecular formula C31H27N3 and a molecular weight of 441.58 g/mol. Its IUPAC name is 3,5-bis[(5R)-5-methyl-3-pyridin-3-ylcyclohepta-1,3,6-trien-1-yl]pyridine.

Molecular Properties

Compound Name3,5-bis[(5R)-5-methyl-3-pyridin-3-ylcyclohepta-1,3,6-trien-1-yl]pyridine
PubChem CID143898102
Molecular FormulaC31H27N3
Molecular Weight441.58 g/mol
Exact Mass441.22
IUPAC Name3,5-bis[(5R)-5-methyl-3-pyridin-3-ylcyclohepta-1,3,6-trien-1-yl]pyridine
SMILESC[C@@H]1C=CC(c2cncc(C3=CC(c4cccnc4)=C[C@H](C)C=C3)c2)=CC(c2cccnc2)=C1
InChIInChI=1S/C31H27N3/c1-22-7-9-24(15-28(13-22)26-5-3-11-32-18-26)30-17-31(21-34-20-30)25-10-8-23(2)14-29(16-25)27-6-4-12-33-19-27/h3-23H,1-2H3/t22-,23-/m1/s1
InChIKeyJRTXFWFDEZTVOL-DHIUTWEWSA-N
XLogP7.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5-bis[(5R)-5-methyl-3-pyridin-3-ylcyclohepta-1,3,6-trien-1-yl]pyridine with MolForge

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Related Compounds

3-methyl-5-(5-pyridin-3-yl-3-pyridinyl)pyridine
CID 170233955
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
3-(3,5-diphenylphenyl)pyridine
CID 141411458
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
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
cyclopenta[c]azepine
CID 638010
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
CID 158129947
4-(3,5-dipyridin-3-ylphenyl)-2,6-diphenylpyridine
CID 58518535
4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine
CID 102345540
3-[3-methyl-5-(4-methylphenyl)phenyl]pyridine
CID 130388822

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(5R)-5-methyl-3-pyridin-3-ylcyclohepta-1,3,6-trien-1-yl]pyridine?
The IUPAC name of 3,5-bis[(5R)-5-methyl-3-pyridin-3-ylcyclohepta-1,3,6-trien-1-yl]pyridine (CID 143898102) is 3,5-bis[(5R)-5-methyl-3-pyridin-3-ylcyclohepta-1,3,6-trien-1-yl]pyridine.
What is the SMILES notation for 3,5-bis[(5R)-5-methyl-3-pyridin-3-ylcyclohepta-1,3,6-trien-1-yl]pyridine?
The canonical SMILES for 3,5-bis[(5R)-5-methyl-3-pyridin-3-ylcyclohepta-1,3,6-trien-1-yl]pyridine is C[C@@H]1C=CC(c2cncc(C3=CC(c4cccnc4)=C[C@H](C)C=C3)c2)=CC(c2cccnc2)=C1.
What is the InChIKey of 3,5-bis[(5R)-5-methyl-3-pyridin-3-ylcyclohepta-1,3,6-trien-1-yl]pyridine?
The InChIKey is JRTXFWFDEZTVOL-DHIUTWEWSA-N. The full InChI is InChI=1S/C31H27N3/c1-22-7-9-24(15-28(13-22)26-5-3-11-32-18-26)30-17-31(21-34-20-30)25-10-8-23(2)14-29(16-25)27-6-4-12-33-19-27/h3-23H,1-2H3/t22-,23-/m1/s1.
What are the key properties of 3,5-bis[(5R)-5-methyl-3-pyridin-3-ylcyclohepta-1,3,6-trien-1-yl]pyridine?
3,5-bis[(5R)-5-methyl-3-pyridin-3-ylcyclohepta-1,3,6-trien-1-yl]pyridine has a molecular weight of 441.58 g/mol, XLogP of 7.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(5R)-5-methyl-3-pyridin-3-ylcyclohepta-1,3,6-trien-1-yl]pyridine is sourced from PubChem (CID 143898102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).