2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b]phosphindol-5-yl]pyridine

C30H23N2OP — CID 153421853

IUPAC2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b]phosphindol-5-yl]pyridine
SMILESCc1ccc(-p2c3ccccc3c3ccc(-c4cccc(Oc5ccccn5)c4)cc32)nc1C
InChIInChI=1S/C30H23N2OP/c1-20-13-16-30(32-21(20)2)34-27-11-4-3-10-25(27)26-15-14-23(19-28(26)34)22-8-7-9-24(18-22)33-29-12-5-6-17-31-29/h3-19H,1-2H3
InChIKeyDWFWXFAQYCNMLQ-UHFFFAOYSA-N
MW458.50 g/mol
LogP8.83
Rot. Bonds4

About 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b]phosphindol-5-yl]pyridine

2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b]phosphindol-5-yl]pyridine (PubChem CID 153421853) has the molecular formula C30H23N2OP and a molecular weight of 458.50 g/mol. Its IUPAC name is 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b]phosphindol-5-yl]pyridine.

Molecular Properties

Compound Name2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b]phosphindol-5-yl]pyridine
PubChem CID153421853
Molecular FormulaC30H23N2OP
Molecular Weight458.50 g/mol
Exact Mass458.15
IUPAC Name2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b]phosphindol-5-yl]pyridine
SMILESCc1ccc(-p2c3ccccc3c3ccc(-c4cccc(Oc5ccccn5)c4)cc32)nc1C
InChIInChI=1S/C30H23N2OP/c1-20-13-16-30(32-21(20)2)34-27-11-4-3-10-25(27)26-15-14-23(19-28(26)34)22-8-7-9-24(18-22)33-29-12-5-6-17-31-29/h3-19H,1-2H3
InChIKeyDWFWXFAQYCNMLQ-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

4-deuterio-2-[3-(5-pyridin-2-ylbenzo[b]phosphindol-3-yl)phenoxy]pyridine
CID 153421293
3-methyl-2-[3-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]benzo[b]phosphindol-5-yl]pyridine
CID 153421435
2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine
CID 153421187
2-pyridin-2-yloxy-6-(3-pyridin-2-yloxyphenyl)pyridine
CID 158819079
9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421221
3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine
CID 153421691
9-(3,4-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421326
2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168551800
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
CID 67464516
2-methyl-6-[3-[(6-methyl-2-pyridinyl)oxy]-5-pyridin-2-yloxyphenoxy]pyridine
CID 146608885
2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine
CID 140818851
2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole
CID 153421215

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b]phosphindol-5-yl]pyridine?
The IUPAC name of 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b]phosphindol-5-yl]pyridine (CID 153421853) is 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b]phosphindol-5-yl]pyridine.
What is the SMILES notation for 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b]phosphindol-5-yl]pyridine?
The canonical SMILES for 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b]phosphindol-5-yl]pyridine is Cc1ccc(-p2c3ccccc3c3ccc(-c4cccc(Oc5ccccn5)c4)cc32)nc1C.
What is the InChIKey of 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b]phosphindol-5-yl]pyridine?
The InChIKey is DWFWXFAQYCNMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N2OP/c1-20-13-16-30(32-21(20)2)34-27-11-4-3-10-25(27)26-15-14-23(19-28(26)34)22-8-7-9-24(18-22)33-29-12-5-6-17-31-29/h3-19H,1-2H3.
What are the key properties of 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b]phosphindol-5-yl]pyridine?
2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)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 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b]phosphindol-5-yl]pyridine is sourced from PubChem (CID 153421853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).