1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline

C37H23N — CID 144968144

IUPAC1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc(-c5ccc(-c6nccc7ccccc67)cc5)cc4)ccc-2c13
InChIInChI=1S/C37H23N/c1-2-7-30-26(6-1)22-23-38-37(30)28-18-14-25(15-19-28)24-12-16-27(17-13-24)29-20-21-35-32-9-4-3-8-31(32)34-11-5-10-33(29)36(34)35/h1-23H
InChIKeyMTNWHHOUKPTRCC-UHFFFAOYSA-N
MW481.60 g/mol
LogP10.04
Rot. Bonds3

About 1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline

1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline (PubChem CID 144968144) has the molecular formula C37H23N and a molecular weight of 481.60 g/mol. Its IUPAC name is 1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline.

Molecular Properties

Compound Name1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline
PubChem CID144968144
Molecular FormulaC37H23N
Molecular Weight481.60 g/mol
Exact Mass481.18
IUPAC Name1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc(-c5ccc(-c6nccc7ccccc67)cc5)cc4)ccc-2c13
InChIInChI=1S/C37H23N/c1-2-7-30-26(6-1)22-23-38-37(30)28-18-14-25(15-19-28)24-12-16-27(17-13-24)29-20-21-35-32-9-4-3-8-31(32)34-11-5-10-33(29)36(34)35/h1-23H
InChIKeyMTNWHHOUKPTRCC-UHFFFAOYSA-N
XLogP10.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline?
The IUPAC name of 1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline (CID 144968144) is 1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline.
What is the SMILES notation for 1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline?
The canonical SMILES for 1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline is c1ccc2c(c1)-c1cccc3c(-c4ccc(-c5ccc(-c6nccc7ccccc67)cc5)cc4)ccc-2c13.
What is the InChIKey of 1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline?
The InChIKey is MTNWHHOUKPTRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N/c1-2-7-30-26(6-1)22-23-38-37(30)28-18-14-25(15-19-28)24-12-16-27(17-13-24)29-20-21-35-32-9-4-3-8-31(32)34-11-5-10-33(29)36(34)35/h1-23H.
What are the key properties of 1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline?
1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline has a molecular weight of 481.60 g/mol, XLogP of 10.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline is sourced from PubChem (CID 144968144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).