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

C29H27N — CID 170221060

IUPAC5-cyclopropyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline
SMILESCc1cc2c(c(-c3nccc4c(C5CC5)cc(C(C)C)cc34)c1)Cc1ccccc1-2
InChIInChI=1S/C29H27N/c1-17(2)21-15-24(19-8-9-19)23-10-11-30-29(28(23)16-21)27-13-18(3)12-25-22-7-5-4-6-20(22)14-26(25)27/h4-7,10-13,15-17,19H,8-9,14H2,1-3H3
InChIKeySRTBBMCQRKJUPE-UHFFFAOYSA-N
MW389.54 g/mol
LogP7.78
Rot. Bonds3

About 5-cyclopropyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline

5-cyclopropyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline (PubChem CID 170221060) has the molecular formula C29H27N and a molecular weight of 389.54 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline.

Molecular Properties

Compound Name5-cyclopropyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline
PubChem CID170221060
Molecular FormulaC29H27N
Molecular Weight389.54 g/mol
Exact Mass389.21
IUPAC Name5-cyclopropyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline
SMILESCc1cc2c(c(-c3nccc4c(C5CC5)cc(C(C)C)cc34)c1)Cc1ccccc1-2
InChIInChI=1S/C29H27N/c1-17(2)21-15-24(19-8-9-19)23-10-11-30-29(28(23)16-21)27-13-18(3)12-25-22-7-5-4-6-20(22)14-26(25)27/h4-7,10-13,15-17,19H,8-9,14H2,1-3H3
InChIKeySRTBBMCQRKJUPE-UHFFFAOYSA-N
XLogP7.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline?
The IUPAC name of 5-cyclopropyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline (CID 170221060) is 5-cyclopropyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline.
What is the SMILES notation for 5-cyclopropyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline?
The canonical SMILES for 5-cyclopropyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline is Cc1cc2c(c(-c3nccc4c(C5CC5)cc(C(C)C)cc34)c1)Cc1ccccc1-2.
What is the InChIKey of 5-cyclopropyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline?
The InChIKey is SRTBBMCQRKJUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N/c1-17(2)21-15-24(19-8-9-19)23-10-11-30-29(28(23)16-21)27-13-18(3)12-25-22-7-5-4-6-20(22)14-26(25)27/h4-7,10-13,15-17,19H,8-9,14H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline?
5-cyclopropyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline has a molecular weight of 389.54 g/mol, XLogP of 7.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3-methyl-9H-fluoren-1-yl)-7-propan-2-ylisoquinoline is sourced from PubChem (CID 170221060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).