1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline

C27H25N — CID 121282910

IUPAC1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline
SMILESCC(C)c1ccc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)nccc2c1
InChIInChI=1S/C27H25N/c1-17(2)18-9-11-21-19(15-18)13-14-28-26(21)20-10-12-23-22-7-5-6-8-24(22)27(3,4)25(23)16-20/h5-17H,1-4H3
InChIKeyNJGIBCDUOGYIQH-UHFFFAOYSA-N
MW363.50 g/mol
LogP7.33
Rot. Bonds2

About 1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline

1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline (PubChem CID 121282910) has the molecular formula C27H25N and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline.

Molecular Properties

Compound Name1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline
PubChem CID121282910
Molecular FormulaC27H25N
Molecular Weight363.50 g/mol
Exact Mass363.20
IUPAC Name1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline
SMILESCC(C)c1ccc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)nccc2c1
InChIInChI=1S/C27H25N/c1-17(2)18-9-11-21-19(15-18)13-14-28-26(21)20-10-12-23-22-7-5-6-8-24(22)27(3,4)25(23)16-20/h5-17H,1-4H3
InChIKeyNJGIBCDUOGYIQH-UHFFFAOYSA-N
XLogP7.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(9,9-dimethylfluoren-2-yl)phenyl]isoquinoline
CID 53488142
1-[3-[4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline
CID 122427216
6-propan-2-yl-1-(3-propan-2-ylphenyl)isoquinoline
CID 149405285
1-[3-[7-(3-isoquinolin-1-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline
CID 58881218
1-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]isoquinoline
CID 59195043
carbanide;2-(9,9-dimethylfluoren-2-yl)-5-propan-2-ylphenol;titanium(3+)
CID 59270074
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-propan-2-ylphenanthren-2-amine
CID 59308503
9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene
CID 140584073
1-(10,10-dimethyl-4-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)-6-propan-2-ylisoquinoline
CID 140693449
9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene
CID 140710796
6,6,12,12-tetramethyl-2-(6-naphthalen-2-ylpyren-1-yl)indeno[1,2-b]fluorene
CID 59390153

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline?
The IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline (CID 121282910) is 1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline.
What is the SMILES notation for 1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline?
The canonical SMILES for 1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline is CC(C)c1ccc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)nccc2c1.
What is the InChIKey of 1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline?
The InChIKey is NJGIBCDUOGYIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N/c1-17(2)18-9-11-21-19(15-18)13-14-28-26(21)20-10-12-23-22-7-5-6-8-24(22)27(3,4)25(23)16-20/h5-17H,1-4H3.
What are the key properties of 1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline?
1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline has a molecular weight of 363.50 g/mol, XLogP of 7.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline is sourced from PubChem (CID 121282910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).