1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene

C50H32 — CID 176639500

IUPAC1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2c3ccccc3c(-c3cccc4c3ccc3c5ccccc5ccc43)c3ccccc23)cc1
InChIInChI=1S/C50H32/c1-3-15-33(16-4-1)37-25-13-26-38(34-17-5-2-6-18-34)49(37)50-46-23-11-9-21-44(46)48(45-22-10-12-24-47(45)50)43-28-14-27-39-41-30-29-35-19-7-8-20-36(35)40(41)31-32-42(39)43/h1-32H
InChIKeyPCMGCTWUMACYIO-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene

1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene (PubChem CID 176639500) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene.

Molecular Properties

Compound Name1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene
PubChem CID176639500
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2c3ccccc3c(-c3cccc4c3ccc3c5ccccc5ccc43)c3ccccc23)cc1
InChIInChI=1S/C50H32/c1-3-15-33(16-4-1)37-25-13-26-38(34-17-5-2-6-18-34)49(37)50-46-23-11-9-21-44(46)48(45-22-10-12-24-47(45)50)43-28-14-27-39-41-30-29-35-19-7-8-20-36(35)40(41)31-32-42(39)43/h1-32H
InChIKeyPCMGCTWUMACYIO-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_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene
CID 171447415
9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 176590384
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619
1,2-dinaphthalen-1-yl-3-phenylchrysene
CID 166134369
2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene
CID 166134021
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
9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 171447346
2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene
CID 166133941
7-naphthalen-1-yl-12-(4-phenylnaphthalen-1-yl)benzo[a]anthracene
CID 154011898
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728
1,2,3,4,5,6,7,8-octadeuterio-9-phenanthren-1-yl-10-phenylanthracene
CID 177089183

Frequently Asked Questions

What is the IUPAC name of 1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene?
The IUPAC name of 1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene (CID 176639500) is 1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene.
What is the SMILES notation for 1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene?
The canonical SMILES for 1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene is c1ccc(-c2cccc(-c3ccccc3)c2-c2c3ccccc3c(-c3cccc4c3ccc3c5ccccc5ccc43)c3ccccc23)cc1.
What is the InChIKey of 1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene?
The InChIKey is PCMGCTWUMACYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-3-15-33(16-4-1)37-25-13-26-38(34-17-5-2-6-18-34)49(37)50-46-23-11-9-21-44(46)48(45-22-10-12-24-47(45)50)43-28-14-27-39-41-30-29-35-19-7-8-20-36(35)40(41)31-32-42(39)43/h1-32H.
What are the key properties of 1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene?
1-[10-(2,6-diphenylphenyl)anthracen-9-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 1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene is sourced from PubChem (CID 176639500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).