2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene

C36H24 — CID 166133941

IUPAC2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene
SMILESc1ccc(-c2ccccc2-c2c(-c3cccc4ccccc34)ccc3c2ccc2ccccc23)cc1
InChIInChI=1S/C36H24/c1-2-11-25(12-3-1)30-18-8-9-19-33(30)36-34-22-21-27-14-5-7-17-29(27)32(34)23-24-35(36)31-20-10-15-26-13-4-6-16-28(26)31/h1-24H
InChIKeyOHIPOICYLRHRFW-UHFFFAOYSA-N
MW456.59 g/mol
LogP10.15
Rot. Bonds3

About 2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene

2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene (PubChem CID 166133941) has the molecular formula C36H24 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene
PubChem CID166133941
Molecular FormulaC36H24
Molecular Weight456.59 g/mol
Exact Mass456.19
IUPAC Name2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene
SMILESc1ccc(-c2ccccc2-c2c(-c3cccc4ccccc34)ccc3c2ccc2ccccc23)cc1
InChIInChI=1S/C36H24/c1-2-11-25(12-3-1)30-18-8-9-19-33(30)36-34-22-21-27-14-5-7-17-29(27)32(34)23-24-35(36)31-20-10-15-26-13-4-6-16-28(26)31/h1-24H
InChIKeyOHIPOICYLRHRFW-UHFFFAOYSA-N
XLogP10.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 510.15
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

2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene
CID 166134021
9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 171447346
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
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-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene
CID 176639500
1,2-dinaphthalen-1-yl-3-phenylchrysene
CID 166134369
9-naphthalen-2-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-(6-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-1-ylanthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-1-ylanthracene;9-naphthalen-2-yl-10-phenanthren-1-ylanthracene;9-naphthalen-1-yl-10-(2-phenylphenyl)anthracene;9-phenanthren-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 160962271
1-(2-phenanthren-1-ylphenyl)-2,3-diphenylfluoranthene
CID 166133552
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58322909
1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene
CID 173119187
2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene?
The IUPAC name of 2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene (CID 166133941) is 2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene.
What is the SMILES notation for 2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene?
The canonical SMILES for 2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene is c1ccc(-c2ccccc2-c2c(-c3cccc4ccccc34)ccc3c2ccc2ccccc23)cc1.
What is the InChIKey of 2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene?
The InChIKey is OHIPOICYLRHRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24/c1-2-11-25(12-3-1)30-18-8-9-19-33(30)36-34-22-21-27-14-5-7-17-29(27)32(34)23-24-35(36)31-20-10-15-26-13-4-6-16-28(26)31/h1-24H.
What are the key properties of 2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene?
2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene has a molecular weight of 456.59 g/mol, XLogP of 10.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene is sourced from PubChem (CID 166133941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).