3-methyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline

C27H25N — CID 170221065

IUPAC3-methyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline
SMILESCc1cc2c(c(-c3nc(C)cc4ccc(C(C)C)cc34)c1)Cc1ccccc1-2
InChIInChI=1S/C27H25N/c1-16(2)19-9-10-21-13-18(4)28-27(23(21)14-19)26-12-17(3)11-24-22-8-6-5-7-20(22)15-25(24)26/h5-14,16H,15H2,1-4H3
InChIKeyJOSFXSHYJNMYLF-UHFFFAOYSA-N
MW363.50 g/mol
LogP7.21
Rot. Bonds2

About 3-methyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline

3-methyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline (PubChem CID 170221065) has the molecular formula C27H25N and a molecular weight of 363.50 g/mol. Its IUPAC name is 3-methyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline.

Molecular Properties

Compound Name3-methyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline
PubChem CID170221065
Molecular FormulaC27H25N
Molecular Weight363.50 g/mol
Exact Mass363.20
IUPAC Name3-methyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline
SMILESCc1cc2c(c(-c3nc(C)cc4ccc(C(C)C)cc34)c1)Cc1ccccc1-2
InChIInChI=1S/C27H25N/c1-16(2)19-9-10-21-13-18(4)28-27(23(21)14-19)26-12-17(3)11-24-22-8-6-5-7-20(22)15-25(24)26/h5-14,16H,15H2,1-4H3
InChIKeyJOSFXSHYJNMYLF-UHFFFAOYSA-N
XLogP7.21
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 ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(3,3-difluorocyclopentyl)-3-methyl-1-(3-methyl-9H-fluoren-1-yl)isoquinoline
CID 170221227
5-cyclopropyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline
CID 170221060
3-cyclopentyl-7-(3,3-dimethylcyclopentyl)-1-(3-methyl-9H-fluoren-1-yl)isoquinoline
CID 170221187
4-chloro-2-methyl-5H-indeno[1,2-b]pyridine
CID 10512877
5-methyl-1-(3-methyl-9H-fluoren-1-yl)-7-(2-methylpropyl)isoquinoline
CID 170221096
4-methyl-1-(3-methyl-9H-fluoren-1-yl)-7-(2-methylpropyl)isoquinoline
CID 170221089
1,3-dimethyl-11,12-dihydroindeno[2,1-a]fluorene
CID 59147149
1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene
CID 157086411
hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
CID 157080785
7-(3,3-dimethylcyclopentyl)-1-(3-methyl-9H-fluoren-1-yl)-5-(2-methylpropyl)isoquinoline
CID 170221180
1-(2,5-dimethylphenyl)-7-propan-2-ylisoquinoline
CID 118074690
1-[3-(3-methylphenyl)phenyl]-9H-fluorene
CID 159755340

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline?
The IUPAC name of 3-methyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline (CID 170221065) is 3-methyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline.
What is the SMILES notation for 3-methyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline?
The canonical SMILES for 3-methyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline is Cc1cc2c(c(-c3nc(C)cc4ccc(C(C)C)cc34)c1)Cc1ccccc1-2.
What is the InChIKey of 3-methyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline?
The InChIKey is JOSFXSHYJNMYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N/c1-16(2)19-9-10-21-13-18(4)28-27(23(21)14-19)26-12-17(3)11-24-22-8-6-5-7-20(22)15-25(24)26/h5-14,16H,15H2,1-4H3.
What are the key properties of 3-methyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline?
3-methyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline has a molecular weight of 363.50 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline is sourced from PubChem (CID 170221065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).