12-naphthalen-1-yl-7-(4H-phenalen-2-yl)benzo[a]anthracene

C41H26 — CID 58535925

IUPAC12-naphthalen-1-yl-7-(4H-phenalen-2-yl)benzo[a]anthracene
SMILESC1=Cc2cccc3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5c4ccc4ccccc45)cc(c23)C1
InChIInChI=1S/C41H26/c1-3-17-32-26(10-1)12-9-21-34(32)41-36-20-6-5-19-35(36)39(37-23-22-27-11-2-4-18-33(27)40(37)41)31-24-29-15-7-13-28-14-8-16-30(25-31)38(28)29/h1-15,17-25H,16H2
InChIKeyPZOOSLWUTCGORX-UHFFFAOYSA-N
MW518.66 g/mol
LogP11.36
Rot. Bonds2

About 12-naphthalen-1-yl-7-(4H-phenalen-2-yl)benzo[a]anthracene

12-naphthalen-1-yl-7-(4H-phenalen-2-yl)benzo[a]anthracene (PubChem CID 58535925) has the molecular formula C41H26 and a molecular weight of 518.66 g/mol. Its IUPAC name is 12-naphthalen-1-yl-7-(4H-phenalen-2-yl)benzo[a]anthracene.

Molecular Properties

Compound Name12-naphthalen-1-yl-7-(4H-phenalen-2-yl)benzo[a]anthracene
PubChem CID58535925
Molecular FormulaC41H26
Molecular Weight518.66 g/mol
Exact Mass518.20
IUPAC Name12-naphthalen-1-yl-7-(4H-phenalen-2-yl)benzo[a]anthracene
SMILESC1=Cc2cccc3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5c4ccc4ccccc45)cc(c23)C1
InChIInChI=1S/C41H26/c1-3-17-32-26(10-1)12-9-21-34(32)41-36-20-6-5-19-35(36)39(37-23-22-27-11-2-4-18-33(27)40(37)41)31-24-29-15-7-13-28-14-8-16-30(25-31)38(28)29/h1-15,17-25H,16H2
InChIKeyPZOOSLWUTCGORX-UHFFFAOYSA-N
XLogP11.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 511.36
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

7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene
CID 58535980
7-phenanthren-2-yl-12-pyren-1-ylbenzo[a]anthracene
CID 59575215
7-naphthalen-1-yl-12-(4-phenylnaphthalen-1-yl)benzo[a]anthracene
CID 154011898
7-(3-naphthalen-1-ylphenyl)-12-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
CID 58535955
9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene
CID 58194236
4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene
CID 142721790
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
CID 123515173
4H-phenalen-2-amine
CID 142737453
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
9,10-bis(4-phenylphenyl)anthracene;10-naphthalen-2-yl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;10-naphthalen-1-yl-7,12-dinaphthalen-2-ylbenzo[a]anthracene;10-phenyl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;7,10,12-trinaphthalen-2-ylbenzo[a]anthracene
CID 160634464
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
CID 58193908

Frequently Asked Questions

What is the IUPAC name of 12-naphthalen-1-yl-7-(4H-phenalen-2-yl)benzo[a]anthracene?
The IUPAC name of 12-naphthalen-1-yl-7-(4H-phenalen-2-yl)benzo[a]anthracene (CID 58535925) is 12-naphthalen-1-yl-7-(4H-phenalen-2-yl)benzo[a]anthracene.
What is the SMILES notation for 12-naphthalen-1-yl-7-(4H-phenalen-2-yl)benzo[a]anthracene?
The canonical SMILES for 12-naphthalen-1-yl-7-(4H-phenalen-2-yl)benzo[a]anthracene is C1=Cc2cccc3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5c4ccc4ccccc45)cc(c23)C1.
What is the InChIKey of 12-naphthalen-1-yl-7-(4H-phenalen-2-yl)benzo[a]anthracene?
The InChIKey is PZOOSLWUTCGORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26/c1-3-17-32-26(10-1)12-9-21-34(32)41-36-20-6-5-19-35(36)39(37-23-22-27-11-2-4-18-33(27)40(37)41)31-24-29-15-7-13-28-14-8-16-30(25-31)38(28)29/h1-15,17-25H,16H2.
What are the key properties of 12-naphthalen-1-yl-7-(4H-phenalen-2-yl)benzo[a]anthracene?
12-naphthalen-1-yl-7-(4H-phenalen-2-yl)benzo[a]anthracene has a molecular weight of 518.66 g/mol, XLogP of 11.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-naphthalen-1-yl-7-(4H-phenalen-2-yl)benzo[a]anthracene is sourced from PubChem (CID 58535925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).