3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine

C29H21BiN2O — CID 153421691

IUPAC3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine
SMILESCc1cccnc1[Bi]1c2ccccc2-c2ccc(-c3cccc(Oc4ccccn4)c3)cc21
InChIInChI=1S/C23H15NO.C6H6N.Bi/c1-2-7-18(8-3-1)19-12-14-20(15-13-19)21-9-6-10-22(17-21)25-23-11-4-5-16-24-23;1-6-3-2-4-7-5-6;/h1-7,9-12,14-17H;2-4H,1H3;
InChIKeyZYIZFFBQLMGRDV-UHFFFAOYSA-N
MW622.48 g/mol
LogP4.74
Rot. Bonds4

About 3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine

3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine (PubChem CID 153421691) has the molecular formula C29H21BiN2O and a molecular weight of 622.48 g/mol. Its IUPAC name is 3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine
PubChem CID153421691
Molecular FormulaC29H21BiN2O
Molecular Weight622.48 g/mol
Exact Mass622.15
IUPAC Name3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine
SMILESCc1cccnc1[Bi]1c2ccccc2-c2ccc(-c3cccc(Oc4ccccn4)c3)cc21
InChIInChI=1S/C23H15NO.C6H6N.Bi/c1-2-7-18(8-3-1)19-12-14-20(15-13-19)21-9-6-10-22(17-21)25-23-11-4-5-16-24-23;1-6-3-2-4-7-5-6;/h1-7,9-12,14-17H;2-4H,1H3;
InChIKeyZYIZFFBQLMGRDV-UHFFFAOYSA-N
XLogP4.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.48
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine
CID 153421745
2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine
CID 153421187
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
CID 67464516
2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine
CID 140818851
2-pyridin-2-yloxy-6-(3-pyridin-2-yloxyphenyl)pyridine
CID 158819079
2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b]phosphindol-5-yl]pyridine
CID 153421853
5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine
CID 134112776
ethane;2-phenoxypyridine
CID 90835857
2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine
CID 139363753
2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol
CID 153304016
3-methyl-2-pyridin-2-yloxypyridine
CID 67923794
5-(4-phenylphenyl)-2-(3-pyridin-2-yloxyphenyl)-1,3-oxazole
CID 140818796

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine?
The IUPAC name of 3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine (CID 153421691) is 3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine.
What is the SMILES notation for 3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine?
The canonical SMILES for 3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine is Cc1cccnc1[Bi]1c2ccccc2-c2ccc(-c3cccc(Oc4ccccn4)c3)cc21.
What is the InChIKey of 3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine?
The InChIKey is ZYIZFFBQLMGRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO.C6H6N.Bi/c1-2-7-18(8-3-1)19-12-14-20(15-13-19)21-9-6-10-22(17-21)25-23-11-4-5-16-24-23;1-6-3-2-4-7-5-6;/h1-7,9-12,14-17H;2-4H,1H3;.
What are the key properties of 3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine?
3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine has a molecular weight of 622.48 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine is sourced from PubChem (CID 153421691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).