1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene

C52H32 — CID 166133840

IUPAC1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene
SMILESc1ccc(-c2cccc3c2ccc2ccccc23)c(-c2c(-c3cccc4ccc5c6ccc7ccccc7c6ccc5c34)ccc3ccccc23)c1
InChIInChI=1S/C52H32/c1-4-15-37-33(11-1)23-27-44-40(37)20-10-21-41(44)42-18-7-8-19-47(42)52-39-17-6-3-13-35(39)25-30-50(52)48-22-9-14-36-26-29-46-45-28-24-34-12-2-5-16-38(34)43(45)31-32-49(46)51(36)48/h1-32H
InChIKeyZLGZONNENQSERJ-UHFFFAOYSA-N
MW656.83 g/mol
LogP14.76
Rot. Bonds3

About 1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene

1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene (PubChem CID 166133840) has the molecular formula C52H32 and a molecular weight of 656.83 g/mol. Its IUPAC name is 1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene.

Molecular Properties

Compound Name1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene
PubChem CID166133840
Molecular FormulaC52H32
Molecular Weight656.83 g/mol
Exact Mass656.25
IUPAC Name1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene
SMILESc1ccc(-c2cccc3c2ccc2ccccc23)c(-c2c(-c3cccc4ccc5c6ccc7ccccc7c6ccc5c34)ccc3ccccc23)c1
InChIInChI=1S/C52H32/c1-4-15-37-33(11-1)23-27-44-40(37)20-10-21-41(44)42-18-7-8-19-47(42)52-39-17-6-3-13-35(39)25-30-50(52)48-22-9-14-36-26-29-46-45-28-24-34-12-2-5-16-38(34)43(45)31-32-49(46)51(36)48/h1-32H
InChIKeyZLGZONNENQSERJ-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.83
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene
CID 139892613
undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene
CID 140861554
1,2-dinaphthalen-1-yltriphenylene
CID 166134407
hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9(24),10,12,14(23),15,17,19,21-dodecaene;hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene;hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene;pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene;triphenylene
CID 159976074
2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene
CID 166133941
1-(2-methylphenyl)picene
CID 173138076
2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene
CID 166134021
9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
CID 58194513
1-(2-phenanthren-1-ylphenyl)-2,3-diphenylfluoranthene
CID 166133552
hexacyclo[12.8.0.02,7.03,21.08,13.017,22]docosa-1(14),2(7),3,5,8,10,12,15,17(22),18,20-undecaene
CID 21087955
1-(1,5-dinaphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 143933798
1-picen-2-ylpicene
CID 173311295

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene?
The IUPAC name of 1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene (CID 166133840) is 1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene.
What is the SMILES notation for 1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene?
The canonical SMILES for 1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene is c1ccc(-c2cccc3c2ccc2ccccc23)c(-c2c(-c3cccc4ccc5c6ccc7ccccc7c6ccc5c34)ccc3ccccc23)c1.
What is the InChIKey of 1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene?
The InChIKey is ZLGZONNENQSERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32/c1-4-15-37-33(11-1)23-27-44-40(37)20-10-21-41(44)42-18-7-8-19-47(42)52-39-17-6-3-13-35(39)25-30-50(52)48-22-9-14-36-26-29-46-45-28-24-34-12-2-5-16-38(34)43(45)31-32-49(46)51(36)48/h1-32H.
What are the key properties of 1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene?
1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene has a molecular weight of 656.83 g/mol, XLogP of 14.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene is sourced from PubChem (CID 166133840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).