1,2-dinaphthalen-1-yl-3-phenylchrysene

C44H28 — CID 166134369

IUPAC1,2-dinaphthalen-1-yl-3-phenylchrysene
SMILESc1ccc(-c2cc3c(ccc4c5ccccc5ccc34)c(-c3cccc4ccccc34)c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C44H28/c1-2-12-31(13-3-1)41-28-42-37-25-24-32-16-6-7-19-33(32)36(37)26-27-40(42)43(38-22-10-17-29-14-4-8-20-34(29)38)44(41)39-23-11-18-30-15-5-9-21-35(30)39/h1-28H
InChIKeyDCHDDUSXLWFWDC-UHFFFAOYSA-N
MW556.71 g/mol
LogP12.45
Rot. Bonds3

About 1,2-dinaphthalen-1-yl-3-phenylchrysene

1,2-dinaphthalen-1-yl-3-phenylchrysene (PubChem CID 166134369) has the molecular formula C44H28 and a molecular weight of 556.71 g/mol. Its IUPAC name is 1,2-dinaphthalen-1-yl-3-phenylchrysene.

Molecular Properties

Compound Name1,2-dinaphthalen-1-yl-3-phenylchrysene
PubChem CID166134369
Molecular FormulaC44H28
Molecular Weight556.71 g/mol
Exact Mass556.22
IUPAC Name1,2-dinaphthalen-1-yl-3-phenylchrysene
SMILESc1ccc(-c2cc3c(ccc4c5ccccc5ccc34)c(-c3cccc4ccccc34)c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C44H28/c1-2-12-31(13-3-1)41-28-42-37-25-24-32-16-6-7-19-33(32)36(37)26-27-40(42)43(38-22-10-17-29-14-4-8-20-34(29)38)44(41)39-23-11-18-30-15-5-9-21-35(30)39/h1-28H
InChIKeyDCHDDUSXLWFWDC-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 512.45
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

3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene
CID 175811035
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
1,2-dinaphthalen-1-yl-3-phenyltriphenylene
CID 166133469
1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene
CID 176639500
6-(10-phenylanthracen-9-yl)chrysene
CID 123188642
2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene
CID 166133941
9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 176590384
6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene
CID 140792190
2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene
CID 166134021
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728
4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene
CID 159785765
7-naphthalen-1-yl-12-(4-phenylnaphthalen-1-yl)benzo[a]anthracene
CID 154011898

Frequently Asked Questions

What is the IUPAC name of 1,2-dinaphthalen-1-yl-3-phenylchrysene?
The IUPAC name of 1,2-dinaphthalen-1-yl-3-phenylchrysene (CID 166134369) is 1,2-dinaphthalen-1-yl-3-phenylchrysene.
What is the SMILES notation for 1,2-dinaphthalen-1-yl-3-phenylchrysene?
The canonical SMILES for 1,2-dinaphthalen-1-yl-3-phenylchrysene is c1ccc(-c2cc3c(ccc4c5ccccc5ccc34)c(-c3cccc4ccccc34)c2-c2cccc3ccccc23)cc1.
What is the InChIKey of 1,2-dinaphthalen-1-yl-3-phenylchrysene?
The InChIKey is DCHDDUSXLWFWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28/c1-2-12-31(13-3-1)41-28-42-37-25-24-32-16-6-7-19-33(32)36(37)26-27-40(42)43(38-22-10-17-29-14-4-8-20-34(29)38)44(41)39-23-11-18-30-15-5-9-21-35(30)39/h1-28H.
What are the key properties of 1,2-dinaphthalen-1-yl-3-phenylchrysene?
1,2-dinaphthalen-1-yl-3-phenylchrysene has a molecular weight of 556.71 g/mol, XLogP of 12.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dinaphthalen-1-yl-3-phenylchrysene is sourced from PubChem (CID 166134369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).