2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol

C38H32O2 — CID 58261454

IUPAC2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c(C(C)(C)O)cc1-c1cccc2ccccc12
InChIInChI=1S/C38H32O2/c1-37(2,39)34-22-33(28-19-20-31-27-15-8-7-14-26(27)29-17-10-18-30(28)36(29)31)35(38(3,4)40)21-32(34)25-16-9-12-23-11-5-6-13-24(23)25/h5-22,39-40H,1-4H3
InChIKeyAYIJSROMAHHOKG-UHFFFAOYSA-N
MW520.67 g/mol
LogP9.43
Rot. Bonds4

About 2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol

2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol (PubChem CID 58261454) has the molecular formula C38H32O2 and a molecular weight of 520.67 g/mol. Its IUPAC name is 2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol
PubChem CID58261454
Molecular FormulaC38H32O2
Molecular Weight520.67 g/mol
Exact Mass520.24
IUPAC Name2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c(C(C)(C)O)cc1-c1cccc2ccccc12
InChIInChI=1S/C38H32O2/c1-37(2,39)34-22-33(28-19-20-31-27-15-8-7-14-26(27)29-17-10-18-30(28)36(29)31)35(38(3,4)40)21-32(34)25-16-9-12-23-11-5-6-13-24(23)25/h5-22,39-40H,1-4H3
InChIKeyAYIJSROMAHHOKG-UHFFFAOYSA-N
XLogP9.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.67
LogP ≤ 59.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methyl-5-naphthalen-1-yl-2-phenylphenyl)propan-2-ol
CID 118360843
2-[4-(2-hydroxypropan-2-yl)-2-[4-(N-[4-[2-(2-hydroxypropan-2-yl)-4-naphthalen-1-ylphenyl]phenyl]-4-methylanilino)phenyl]-5-naphthalen-1-ylphenyl]propan-2-ol
CID 153437165
8-bromo-3-naphthalen-1-ylfluoranthene
CID 139499164
2-[2-(1,2-dihydroacenaphthylen-5-yl)-4-(2-hydroxypropan-2-yl)-5-pyren-1-ylphenyl]propan-2-ol
CID 58261444
2-[2-(9,10-diphenylanthracen-2-yl)-4-(2-hydroxypropan-2-yl)-5-pyren-1-ylphenyl]propan-2-ol
CID 58261371
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
3-(2-methylbutan-2-yl)fluoranthene
CID 160971075
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
5-iodo-1,4-dinaphthalen-1-ylnaphthalene
CID 145347874
6-naphthalen-1-ylbenzo[c]phenanthrene
CID 123608674
3-(2-bromophenyl)fluoranthene
CID 58390376
CID 175282704
CID 175282704

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol?
The IUPAC name of 2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol (CID 58261454) is 2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol.
What is the SMILES notation for 2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol?
The canonical SMILES for 2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol is CC(C)(O)c1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c(C(C)(C)O)cc1-c1cccc2ccccc12.
What is the InChIKey of 2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol?
The InChIKey is AYIJSROMAHHOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32O2/c1-37(2,39)34-22-33(28-19-20-31-27-15-8-7-14-26(27)29-17-10-18-30(28)36(29)31)35(38(3,4)40)21-32(34)25-16-9-12-23-11-5-6-13-24(23)25/h5-22,39-40H,1-4H3.
What are the key properties of 2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol?
2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol has a molecular weight of 520.67 g/mol, XLogP of 9.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol is sourced from PubChem (CID 58261454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).