4-butyl-2-methoxy-3-phenyl-9H-indeno[2,1-b]pyridine

C23H23NO — CID 135036036

IUPAC4-butyl-2-methoxy-3-phenyl-9H-indeno[2,1-b]pyridine
SMILESCCCCc1c2c(nc(OC)c1-c1ccccc1)Cc1ccccc1-2
InChIInChI=1S/C23H23NO/c1-3-4-13-19-21(16-10-6-5-7-11-16)23(25-2)24-20-15-17-12-8-9-14-18(17)22(19)20/h5-12,14H,3-4,13,15H2,1-2H3
InChIKeyMBQLSMOCCDVRDI-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.67
Rot. Bonds5

About 4-butyl-2-methoxy-3-phenyl-9H-indeno[2,1-b]pyridine

4-butyl-2-methoxy-3-phenyl-9H-indeno[2,1-b]pyridine (PubChem CID 135036036) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-butyl-2-methoxy-3-phenyl-9H-indeno[2,1-b]pyridine.

Molecular Properties

Compound Name4-butyl-2-methoxy-3-phenyl-9H-indeno[2,1-b]pyridine
PubChem CID135036036
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name4-butyl-2-methoxy-3-phenyl-9H-indeno[2,1-b]pyridine
SMILESCCCCc1c2c(nc(OC)c1-c1ccccc1)Cc1ccccc1-2
InChIInChI=1S/C23H23NO/c1-3-4-13-19-21(16-10-6-5-7-11-16)23(25-2)24-20-15-17-12-8-9-14-18(17)22(19)20/h5-12,14H,3-4,13,15H2,1-2H3
InChIKeyMBQLSMOCCDVRDI-UHFFFAOYSA-N
XLogP5.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethoxy-1,3,4-trimethyl-2-phenyl-7H-indeno[2,1-c]isoquinoline
CID 175398165
2-methoxy-4-phenyl-9H-indeno[2,1-b]pyridine
CID 135035975
1,2,3-trimethoxy-4-propyl-9H-fluorene
CID 150563625
2-butyl-1-phenyl-9H-fluorene
CID 154085968
3,4-dioctyl-9H-fluorene
CID 173498709
3-butyl-2-methyl-1H-indene
CID 15422807
bis(9H-fluorene);pentane
CID 159146463
1,3-dimethoxy-4-phenylpyrido[4,3-b]quinoxaline
CID 11120684
1,2-dioctyl-3-phenyl-9H-fluorene
CID 140695586
2-chloro-4-phenyl-9H-indeno[2,1-d]pyrimidine
CID 139310265
bis(9H-fluorene);methane;pentane
CID 158815702
25,26,27,28-tetrabutylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
CID 102468300

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-methoxy-3-phenyl-9H-indeno[2,1-b]pyridine?
The IUPAC name of 4-butyl-2-methoxy-3-phenyl-9H-indeno[2,1-b]pyridine (CID 135036036) is 4-butyl-2-methoxy-3-phenyl-9H-indeno[2,1-b]pyridine.
What is the SMILES notation for 4-butyl-2-methoxy-3-phenyl-9H-indeno[2,1-b]pyridine?
The canonical SMILES for 4-butyl-2-methoxy-3-phenyl-9H-indeno[2,1-b]pyridine is CCCCc1c2c(nc(OC)c1-c1ccccc1)Cc1ccccc1-2.
What is the InChIKey of 4-butyl-2-methoxy-3-phenyl-9H-indeno[2,1-b]pyridine?
The InChIKey is MBQLSMOCCDVRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-3-4-13-19-21(16-10-6-5-7-11-16)23(25-2)24-20-15-17-12-8-9-14-18(17)22(19)20/h5-12,14H,3-4,13,15H2,1-2H3.
What are the key properties of 4-butyl-2-methoxy-3-phenyl-9H-indeno[2,1-b]pyridine?
4-butyl-2-methoxy-3-phenyl-9H-indeno[2,1-b]pyridine has a molecular weight of 329.44 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-methoxy-3-phenyl-9H-indeno[2,1-b]pyridine is sourced from PubChem (CID 135036036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).