3-methyl-2-[3-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]benzo[b]phosphindol-5-yl]pyridine

C30H23N2OP — CID 153421435

IUPAC3-methyl-2-[3-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]benzo[b]phosphindol-5-yl]pyridine
SMILESCc1ccnc(Oc2cccc(-c3ccc4c5ccccc5p(-c5ncccc5C)c4c3)c2)c1
InChIInChI=1S/C30H23N2OP/c1-20-14-16-31-29(17-20)33-24-9-5-8-22(18-24)23-12-13-26-25-10-3-4-11-27(25)34(28(26)19-23)30-21(2)7-6-15-32-30/h3-19H,1-2H3
InChIKeyAXMFHGUZKBWTAM-UHFFFAOYSA-N
MW458.50 g/mol
LogP8.83
Rot. Bonds4

About 3-methyl-2-[3-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]benzo[b]phosphindol-5-yl]pyridine

3-methyl-2-[3-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]benzo[b]phosphindol-5-yl]pyridine (PubChem CID 153421435) has the molecular formula C30H23N2OP and a molecular weight of 458.50 g/mol. Its IUPAC name is 3-methyl-2-[3-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]benzo[b]phosphindol-5-yl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[3-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]benzo[b]phosphindol-5-yl]pyridine
PubChem CID153421435
Molecular FormulaC30H23N2OP
Molecular Weight458.50 g/mol
Exact Mass458.15
IUPAC Name3-methyl-2-[3-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]benzo[b]phosphindol-5-yl]pyridine
SMILESCc1ccnc(Oc2cccc(-c3ccc4c5ccccc5p(-c5ncccc5C)c4c3)c2)c1
InChIInChI=1S/C30H23N2OP/c1-20-14-16-31-29(17-20)33-24-9-5-8-22(18-24)23-12-13-26-25-10-3-4-11-27(25)34(28(26)19-23)30-21(2)7-6-15-32-30/h3-19H,1-2H3
InChIKeyAXMFHGUZKBWTAM-UHFFFAOYSA-N
XLogP8.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.50
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b]phosphindol-5-yl]pyridine
CID 153421853
4-deuterio-2-[3-(5-pyridin-2-ylbenzo[b]phosphindol-3-yl)phenoxy]pyridine
CID 153421293
9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole
CID 153421943
2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421155
3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine
CID 153421691
N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)-5-oxobenzo[b]phosphindol-3-yl]phenoxy]pyridin-4-amine
CID 153421803
N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine
CID 153421745
dimethyl-(4-methyl-2-pyridinyl)-[3-[9-(3-methyl-2-pyridinyl)carbazol-2-yl]phenyl]silane
CID 158985366
9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421221
9-(4-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421041
9-(3,4-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421326
4-dibenzofuran-3-yl-2-phenoxypyridine
CID 140715186

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]benzo[b]phosphindol-5-yl]pyridine?
The IUPAC name of 3-methyl-2-[3-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]benzo[b]phosphindol-5-yl]pyridine (CID 153421435) is 3-methyl-2-[3-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]benzo[b]phosphindol-5-yl]pyridine.
What is the SMILES notation for 3-methyl-2-[3-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]benzo[b]phosphindol-5-yl]pyridine?
The canonical SMILES for 3-methyl-2-[3-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]benzo[b]phosphindol-5-yl]pyridine is Cc1ccnc(Oc2cccc(-c3ccc4c5ccccc5p(-c5ncccc5C)c4c3)c2)c1.
What is the InChIKey of 3-methyl-2-[3-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]benzo[b]phosphindol-5-yl]pyridine?
The InChIKey is AXMFHGUZKBWTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N2OP/c1-20-14-16-31-29(17-20)33-24-9-5-8-22(18-24)23-12-13-26-25-10-3-4-11-27(25)34(28(26)19-23)30-21(2)7-6-15-32-30/h3-19H,1-2H3.
What are the key properties of 3-methyl-2-[3-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]benzo[b]phosphindol-5-yl]pyridine?
3-methyl-2-[3-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]benzo[b]phosphindol-5-yl]pyridine has a molecular weight of 458.50 g/mol, XLogP of 8.83, 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-[(4-methyl-2-pyridinyl)oxy]phenyl]benzo[b]phosphindol-5-yl]pyridine is sourced from PubChem (CID 153421435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).