6-[7-(4-methoxyphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine

C36H31NO — CID 59747140

IUPAC6-[7-(4-methoxyphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine
SMILESCOc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)-c4cccnc4C5(C)C)ccc2-3)cc1
InChIInChI=1S/C36H31NO/c1-35(2)32-20-24(22-8-13-26(38-5)14-9-22)10-15-27(32)28-16-11-25(21-33(28)35)23-12-17-31-30(19-23)29-7-6-18-37-34(29)36(31,3)4/h6-21H,1-5H3
InChIKeyBNSQIIUWXOUZNA-UHFFFAOYSA-N
MW493.65 g/mol
LogP9.04
Rot. Bonds3

About 6-[7-(4-methoxyphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine

6-[7-(4-methoxyphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine (PubChem CID 59747140) has the molecular formula C36H31NO and a molecular weight of 493.65 g/mol. Its IUPAC name is 6-[7-(4-methoxyphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine.

Molecular Properties

Compound Name6-[7-(4-methoxyphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine
PubChem CID59747140
Molecular FormulaC36H31NO
Molecular Weight493.65 g/mol
Exact Mass493.24
IUPAC Name6-[7-(4-methoxyphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine
SMILESCOc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)-c4cccnc4C5(C)C)ccc2-3)cc1
InChIInChI=1S/C36H31NO/c1-35(2)32-20-24(22-8-13-26(38-5)14-9-22)10-15-27(32)28-16-11-25(21-33(28)35)23-12-17-31-30(19-23)29-7-6-18-37-34(29)36(31,3)4/h6-21H,1-5H3
InChIKeyBNSQIIUWXOUZNA-UHFFFAOYSA-N
XLogP9.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[7-(4-methoxyphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[7-(4-methoxyphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine?
The IUPAC name of 6-[7-(4-methoxyphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine (CID 59747140) is 6-[7-(4-methoxyphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine.
What is the SMILES notation for 6-[7-(4-methoxyphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine?
The canonical SMILES for 6-[7-(4-methoxyphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine is COc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)-c4cccnc4C5(C)C)ccc2-3)cc1.
What is the InChIKey of 6-[7-(4-methoxyphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine?
The InChIKey is BNSQIIUWXOUZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31NO/c1-35(2)32-20-24(22-8-13-26(38-5)14-9-22)10-15-27(32)28-16-11-25(21-33(28)35)23-12-17-31-30(19-23)29-7-6-18-37-34(29)36(31,3)4/h6-21H,1-5H3.
What are the key properties of 6-[7-(4-methoxyphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine?
6-[7-(4-methoxyphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine has a molecular weight of 493.65 g/mol, XLogP of 9.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(4-methoxyphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine is sourced from PubChem (CID 59747140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).