1-(9,9-dimethylfluoren-1-yl)isoquinoline

C24H19N — CID 90835059

IUPAC1-(9,9-dimethylfluoren-1-yl)isoquinoline
SMILESCC1(C)c2ccccc2-c2cccc(-c3nccc4ccccc34)c21
InChIInChI=1S/C24H19N/c1-24(2)21-13-6-5-10-18(21)19-11-7-12-20(22(19)24)23-17-9-4-3-8-16(17)14-15-25-23/h3-15H,1-2H3
InChIKeyYZNSYKOVQLMQNK-UHFFFAOYSA-N
MW321.42 g/mol
LogP6.21
Rot. Bonds1

About 1-(9,9-dimethylfluoren-1-yl)isoquinoline

1-(9,9-dimethylfluoren-1-yl)isoquinoline (PubChem CID 90835059) has the molecular formula C24H19N and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-(9,9-dimethylfluoren-1-yl)isoquinoline.

Molecular Properties

Compound Name1-(9,9-dimethylfluoren-1-yl)isoquinoline
PubChem CID90835059
Molecular FormulaC24H19N
Molecular Weight321.42 g/mol
Exact Mass321.15
IUPAC Name1-(9,9-dimethylfluoren-1-yl)isoquinoline
SMILESCC1(C)c2ccccc2-c2cccc(-c3nccc4ccccc34)c21
InChIInChI=1S/C24H19N/c1-24(2)21-13-6-5-10-18(21)19-11-7-12-20(22(19)24)23-17-9-4-3-8-16(17)14-15-25-23/h3-15H,1-2H3
InChIKeyYZNSYKOVQLMQNK-UHFFFAOYSA-N
XLogP6.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]isoquinoline
CID 53488142
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
1-[3-[4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline
CID 122427216
1-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]isoquinoline
CID 59195043
1-[3-[7-(3-isoquinolin-1-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline
CID 58881218
5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene
CID 140710620
5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282310
10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline
CID 59183079
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 144670680
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 91470717
11,11-dimethyl-1-phenylfluoreno[2,1-f]isoquinoline
CID 171734741

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethylfluoren-1-yl)isoquinoline?
The IUPAC name of 1-(9,9-dimethylfluoren-1-yl)isoquinoline (CID 90835059) is 1-(9,9-dimethylfluoren-1-yl)isoquinoline.
What is the SMILES notation for 1-(9,9-dimethylfluoren-1-yl)isoquinoline?
The canonical SMILES for 1-(9,9-dimethylfluoren-1-yl)isoquinoline is CC1(C)c2ccccc2-c2cccc(-c3nccc4ccccc34)c21.
What is the InChIKey of 1-(9,9-dimethylfluoren-1-yl)isoquinoline?
The InChIKey is YZNSYKOVQLMQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N/c1-24(2)21-13-6-5-10-18(21)19-11-7-12-20(22(19)24)23-17-9-4-3-8-16(17)14-15-25-23/h3-15H,1-2H3.
What are the key properties of 1-(9,9-dimethylfluoren-1-yl)isoquinoline?
1-(9,9-dimethylfluoren-1-yl)isoquinoline has a molecular weight of 321.42 g/mol, XLogP of 6.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethylfluoren-1-yl)isoquinoline is sourced from PubChem (CID 90835059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).