2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene

C50H32 — CID 166134021

IUPAC2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene
SMILESc1ccc(-c2ccc3ccccc3c2-c2c(-c3ccccc3-c3cccc4ccccc34)ccc3c2ccc2c4ccccc4ccc32)cc1
InChIInChI=1S/C50H32/c1-2-13-34(14-3-1)40-27-25-36-17-6-9-21-39(36)49(40)50-47(43-23-11-10-22-42(43)41-24-12-18-33-15-4-7-19-37(33)41)32-30-46-45-28-26-35-16-5-8-20-38(35)44(45)29-31-48(46)50/h1-32H
InChIKeyPQJXNRNPICGEFX-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene

2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene (PubChem CID 166134021) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene.

Molecular Properties

Compound Name2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene
PubChem CID166134021
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene
SMILESc1ccc(-c2ccc3ccccc3c2-c2c(-c3ccccc3-c3cccc4ccccc34)ccc3c2ccc2c4ccccc4ccc32)cc1
InChIInChI=1S/C50H32/c1-2-13-34(14-3-1)40-27-25-36-17-6-9-21-39(36)49(40)50-47(43-23-11-10-22-42(43)41-24-12-18-33-15-4-7-19-37(33)41)32-30-46-45-28-26-35-16-5-8-20-38(35)44(45)29-31-48(46)50/h1-32H
InChIKeyPQJXNRNPICGEFX-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.12
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-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene
CID 166133941
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene
CID 176639500
17-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaene
CID 155762703
1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene
CID 173119187
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-diphenylbenzene;bis(1,2-diphenylnaphthalene);2,3-diphenylnaphthalene;1,2-diphenylphenanthrene;9,10-diphenylphenanthrene
CID 157199364
1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
1,2-dinaphthalen-1-yl-3-phenylchrysene
CID 166134369
1-phenylbenzo[c]phenanthrene-5,6-dione
CID 10892989
1,2-diphenylnaphthalene
CID 11208267
9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 171447346

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene?
The IUPAC name of 2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene (CID 166134021) is 2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene.
What is the SMILES notation for 2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene?
The canonical SMILES for 2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene is c1ccc(-c2ccc3ccccc3c2-c2c(-c3ccccc3-c3cccc4ccccc34)ccc3c2ccc2c4ccccc4ccc32)cc1.
What is the InChIKey of 2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene?
The InChIKey is PQJXNRNPICGEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-13-34(14-3-1)40-27-25-36-17-6-9-21-39(36)49(40)50-47(43-23-11-10-22-42(43)41-24-12-18-33-15-4-7-19-37(33)41)32-30-46-45-28-26-35-16-5-8-20-38(35)44(45)29-31-48(46)50/h1-32H.
What are the key properties of 2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene?
2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene is sourced from PubChem (CID 166134021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).