2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene

C37H27F — CID 170293668

IUPAC2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene
SMILESFc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6ccc(C7CC7)cc6)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C37H27F/c38-37-21-19-30(20-22-37)29-9-13-32(14-10-29)34-16-18-35-23-33(15-17-36(35)24-34)31-11-7-28(8-12-31)27-5-3-26(4-6-27)25-1-2-25/h3-25H,1-2H2
InChIKeyMVNIXPSDEHTGPH-UHFFFAOYSA-N
MW490.62 g/mol
LogP10.52
Rot. Bonds5

About 2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene

2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene (PubChem CID 170293668) has the molecular formula C37H27F and a molecular weight of 490.62 g/mol. Its IUPAC name is 2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene.

Molecular Properties

Compound Name2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene
PubChem CID170293668
Molecular FormulaC37H27F
Molecular Weight490.62 g/mol
Exact Mass490.21
IUPAC Name2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene
SMILESFc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6ccc(C7CC7)cc6)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C37H27F/c38-37-21-19-30(20-22-37)29-9-13-32(14-10-29)34-16-18-35-23-33(15-17-36(35)24-34)31-11-7-28(8-12-31)27-5-3-26(4-6-27)25-1-2-25/h3-25H,1-2H2
InChIKeyMVNIXPSDEHTGPH-UHFFFAOYSA-N
XLogP10.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.62
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
1-fluoro-4-(4-fluorocyclohexyl)benzene
CID 23539867
1,1-dichloro-4-[4-(4-fluorophenyl)phenyl]silinane
CID 22404089
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene
CID 54322321
1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
CID 19798866
2-(4-cyclohexylphenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 168844841
1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 158127728
4-[4-(4-fluorophenyl)phenyl]-1-methoxysilinane
CID 123941508
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene
CID 134241732

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene?
The IUPAC name of 2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene (CID 170293668) is 2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene.
What is the SMILES notation for 2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene?
The canonical SMILES for 2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene is Fc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6ccc(C7CC7)cc6)cc5)ccc4c3)cc2)cc1.
What is the InChIKey of 2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene?
The InChIKey is MVNIXPSDEHTGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27F/c38-37-21-19-30(20-22-37)29-9-13-32(14-10-29)34-16-18-35-23-33(15-17-36(35)24-34)31-11-7-28(8-12-31)27-5-3-26(4-6-27)25-1-2-25/h3-25H,1-2H2.
What are the key properties of 2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene?
2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene has a molecular weight of 490.62 g/mol, XLogP of 10.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene is sourced from PubChem (CID 170293668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).