3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene

C60H38 — CID 175811035

IUPAC3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene
SMILESc1ccc(-c2cccc3ccccc23)c(-c2c(-c3cccc4ccccc34)cc3c(ccc4c5ccccc5ccc34)c2-c2ccccc2-c2cccc3ccccc23)c1
InChIInChI=1S/C60H38/c1-5-23-43-39(16-1)20-13-31-47(43)50-27-9-11-29-54(50)59-56-37-36-52-46-26-8-4-19-42(46)34-35-53(52)57(56)38-58(49-33-15-22-41-18-3-7-25-45(41)49)60(59)55-30-12-10-28-51(55)48-32-14-21-40-17-2-6-24-44(40)48/h1-38H
InChIKeyDBYNDRLLGRUNIA-UHFFFAOYSA-N
MW758.96 g/mol
LogP16.94
Rot. Bonds5

About 3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene

3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene (PubChem CID 175811035) has the molecular formula C60H38 and a molecular weight of 758.96 g/mol. Its IUPAC name is 3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene.

Molecular Properties

Compound Name3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene
PubChem CID175811035
Molecular FormulaC60H38
Molecular Weight758.96 g/mol
Exact Mass758.30
IUPAC Name3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene
SMILESc1ccc(-c2cccc3ccccc23)c(-c2c(-c3cccc4ccccc34)cc3c(ccc4c5ccccc5ccc34)c2-c2ccccc2-c2cccc3ccccc23)c1
InChIInChI=1S/C60H38/c1-5-23-43-39(16-1)20-13-31-47(43)50-27-9-11-29-54(50)59-56-37-36-52-46-26-8-4-19-42(46)34-35-53(52)57(56)38-58(49-33-15-22-41-18-3-7-25-45(41)49)60(59)55-30-12-10-28-51(55)48-32-14-21-40-17-2-6-24-44(40)48/h1-38H
InChIKeyDBYNDRLLGRUNIA-UHFFFAOYSA-N
XLogP16.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.96
LogP ≤ 516.94
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

1,2-dinaphthalen-1-yl-3-phenylchrysene
CID 166134369
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene
CID 59412654
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
2-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)fluoranthene
CID 166134124
2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene
CID 166133941
2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 172698241
2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene
CID 166134021
octacyclo[22.12.0.02,7.08,17.010,15.018,23.025,30.031,36]hexatriaconta-1(24),2,4,6,8,10,12,14,16,18,20,22,25,27,29,31,33,35-octadecaene
CID 162413036
9-naphthalen-1-ylphenanthrene
CID 20606742
9,10-bis(2-naphthalen-1-ylphenyl)anthracene;9,10-bis(2-naphthalen-2-ylphenyl)anthracene
CID 160569963
1,10-dinaphthalen-1-ylanthracene
CID 58645117

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene?
The IUPAC name of 3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene (CID 175811035) is 3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene.
What is the SMILES notation for 3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene?
The canonical SMILES for 3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene is c1ccc(-c2cccc3ccccc23)c(-c2c(-c3cccc4ccccc34)cc3c(ccc4c5ccccc5ccc34)c2-c2ccccc2-c2cccc3ccccc23)c1.
What is the InChIKey of 3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene?
The InChIKey is DBYNDRLLGRUNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38/c1-5-23-43-39(16-1)20-13-31-47(43)50-27-9-11-29-54(50)59-56-37-36-52-46-26-8-4-19-42(46)34-35-53(52)57(56)38-58(49-33-15-22-41-18-3-7-25-45(41)49)60(59)55-30-12-10-28-51(55)48-32-14-21-40-17-2-6-24-44(40)48/h1-38H.
What are the key properties of 3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene?
3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene has a molecular weight of 758.96 g/mol, XLogP of 16.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene is sourced from PubChem (CID 175811035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).