3-(9,9-dimethylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine

C34H25N — CID 89296764

IUPAC3-(9,9-dimethylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(C3=C4C=CC5=C6C(=CC=C(C=C3)C46)C3N=CC=CC3=C5)cc21
InChIInChI=1S/C34H25N/c1-34(2)29-8-4-3-7-25(29)26-14-11-21(19-30(26)34)24-13-9-20-10-16-28-32-22(12-15-27(24)31(20)32)18-23-6-5-17-35-33(23)28/h3-19,31,33H,1-2H3
InChIKeySKLOOGPLBNFPCE-UHFFFAOYSA-N
MW447.58 g/mol
LogP7.61
Rot. Bonds1

About 3-(9,9-dimethylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine

3-(9,9-dimethylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine (PubChem CID 89296764) has the molecular formula C34H25N and a molecular weight of 447.58 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine
PubChem CID89296764
Molecular FormulaC34H25N
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC Name3-(9,9-dimethylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(C3=C4C=CC5=C6C(=CC=C(C=C3)C46)C3N=CC=CC3=C5)cc21
InChIInChI=1S/C34H25N/c1-34(2)29-8-4-3-7-25(29)26-14-11-21(19-30(26)34)24-13-9-20-10-16-28-32-22(12-15-27(24)31(20)32)18-23-6-5-17-35-33(23)28/h3-19,31,33H,1-2H3
InChIKeySKLOOGPLBNFPCE-UHFFFAOYSA-N
XLogP7.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine?
The IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine (CID 89296764) is 3-(9,9-dimethylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine.
What is the SMILES notation for 3-(9,9-dimethylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine?
The canonical SMILES for 3-(9,9-dimethylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine is CC1(C)c2ccccc2-c2ccc(C3=C4C=CC5=C6C(=CC=C(C=C3)C46)C3N=CC=CC3=C5)cc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine?
The InChIKey is SKLOOGPLBNFPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N/c1-34(2)29-8-4-3-7-25(29)26-14-11-21(19-30(26)34)24-13-9-20-10-16-28-32-22(12-15-27(24)31(20)32)18-23-6-5-17-35-33(23)28/h3-19,31,33H,1-2H3.
What are the key properties of 3-(9,9-dimethylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine?
3-(9,9-dimethylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine has a molecular weight of 447.58 g/mol, XLogP of 7.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine is sourced from PubChem (CID 89296764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).