5-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]-7,7-dimethylindeno[2,1-b]carbazole

C33H24F2N2 — CID 118920505

IUPAC5-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCc1cccc(-c2c(F)cncc2F)c1-n1c2ccccc2c2cc3c(cc21)C(C)(C)c1ccccc1-3
InChIInChI=1S/C33H24F2N2/c1-19-9-8-12-22(31-27(34)17-36-18-28(31)35)32(19)37-29-14-7-5-11-21(29)24-15-23-20-10-4-6-13-25(20)33(2,3)26(23)16-30(24)37/h4-18H,1-3H3
InChIKeyYFAULKUAZMVYMQ-UHFFFAOYSA-N
MW486.57 g/mol
LogP8.74
Rot. Bonds2

About 5-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]-7,7-dimethylindeno[2,1-b]carbazole

5-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 118920505) has the molecular formula C33H24F2N2 and a molecular weight of 486.57 g/mol. Its IUPAC name is 5-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID118920505
Molecular FormulaC33H24F2N2
Molecular Weight486.57 g/mol
Exact Mass486.19
IUPAC Name5-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCc1cccc(-c2c(F)cncc2F)c1-n1c2ccccc2c2cc3c(cc21)C(C)(C)c1ccccc1-3
InChIInChI=1S/C33H24F2N2/c1-19-9-8-12-22(31-27(34)17-36-18-28(31)35)32(19)37-29-14-7-5-11-21(29)24-15-23-20-10-4-6-13-25(20)33(2,3)26(23)16-30(24)37/h4-18H,1-3H3
InChIKeyYFAULKUAZMVYMQ-UHFFFAOYSA-N
XLogP8.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]-7,7-dimethylindeno[2,1-b]carbazole 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 5-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]-7,7-dimethylindeno[2,1-b]carbazole (CID 118920505) is 5-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]-7,7-dimethylindeno[2,1-b]carbazole is Cc1cccc(-c2c(F)cncc2F)c1-n1c2ccccc2c2cc3c(cc21)C(C)(C)c1ccccc1-3.
What is the InChIKey of 5-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is YFAULKUAZMVYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24F2N2/c1-19-9-8-12-22(31-27(34)17-36-18-28(31)35)32(19)37-29-14-7-5-11-21(29)24-15-23-20-10-4-6-13-25(20)33(2,3)26(23)16-30(24)37/h4-18H,1-3H3.
What are the key properties of 5-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 486.57 g/mol, XLogP of 8.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 118920505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).