1,1-diphenyl-2-spiro[cyclopropane-2,5'-indeno[1,2-b]pyridine]-1-ylethanol

C28H23NO — CID 3091502

IUPAC1,1-diphenyl-2-spiro[cyclopropane-2,5'-indeno[1,2-b]pyridine]-1-ylethanol
SMILESOC(CC1CC12c1ccccc1-c1ncccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23NO/c30-28(20-10-3-1-4-11-20,21-12-5-2-6-13-21)19-22-18-27(22)24-15-8-7-14-23(24)26-25(27)16-9-17-29-26/h1-17,22,30H,18-19H2
InChIKeyIDPUFKCIPCGYIL-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.69
Rot. Bonds4

About 1,1-diphenyl-2-spiro[cyclopropane-2,5'-indeno[1,2-b]pyridine]-1-ylethanol

1,1-diphenyl-2-spiro[cyclopropane-2,5'-indeno[1,2-b]pyridine]-1-ylethanol (PubChem CID 3091502) has the molecular formula C28H23NO and a molecular weight of 389.50 g/mol. Its IUPAC name is 1,1-diphenyl-2-spiro[cyclopropane-2,5'-indeno[1,2-b]pyridine]-1-ylethanol.

Molecular Properties

Compound Name1,1-diphenyl-2-spiro[cyclopropane-2,5'-indeno[1,2-b]pyridine]-1-ylethanol
PubChem CID3091502
Molecular FormulaC28H23NO
Molecular Weight389.50 g/mol
Exact Mass389.18
IUPAC Name1,1-diphenyl-2-spiro[cyclopropane-2,5'-indeno[1,2-b]pyridine]-1-ylethanol
SMILESOC(CC1CC12c1ccccc1-c1ncccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23NO/c30-28(20-10-3-1-4-11-20,21-12-5-2-6-13-21)19-22-18-27(22)24-15-8-7-14-23(24)26-25(27)16-9-17-29-26/h1-17,22,30H,18-19H2
InChIKeyIDPUFKCIPCGYIL-UHFFFAOYSA-N
XLogP5.69
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-2-spiro[cyclopropane-2,5'-indeno[1,2-b]pyridine]-1-ylethanol?
The IUPAC name of 1,1-diphenyl-2-spiro[cyclopropane-2,5'-indeno[1,2-b]pyridine]-1-ylethanol (CID 3091502) is 1,1-diphenyl-2-spiro[cyclopropane-2,5'-indeno[1,2-b]pyridine]-1-ylethanol.
What is the SMILES notation for 1,1-diphenyl-2-spiro[cyclopropane-2,5'-indeno[1,2-b]pyridine]-1-ylethanol?
The canonical SMILES for 1,1-diphenyl-2-spiro[cyclopropane-2,5'-indeno[1,2-b]pyridine]-1-ylethanol is OC(CC1CC12c1ccccc1-c1ncccc12)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-2-spiro[cyclopropane-2,5'-indeno[1,2-b]pyridine]-1-ylethanol?
The InChIKey is IDPUFKCIPCGYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO/c30-28(20-10-3-1-4-11-20,21-12-5-2-6-13-21)19-22-18-27(22)24-15-8-7-14-23(24)26-25(27)16-9-17-29-26/h1-17,22,30H,18-19H2.
What are the key properties of 1,1-diphenyl-2-spiro[cyclopropane-2,5'-indeno[1,2-b]pyridine]-1-ylethanol?
1,1-diphenyl-2-spiro[cyclopropane-2,5'-indeno[1,2-b]pyridine]-1-ylethanol has a molecular weight of 389.50 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-2-spiro[cyclopropane-2,5'-indeno[1,2-b]pyridine]-1-ylethanol is sourced from PubChem (CID 3091502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).