5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene

C42H26 — CID 59412578

IUPAC5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cc5cc6ccccc6cc5c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C42H26/c1-2-12-28-23-31(22-21-27(28)11-1)41-35-17-7-9-19-37(35)42(38-20-10-8-18-36(38)41)40-26-32-24-29-13-3-4-14-30(29)25-39(32)33-15-5-6-16-34(33)40/h1-26H
InChIKeyHPJGDNUCTLBWCM-UHFFFAOYSA-N
MW530.67 g/mol
LogP11.94
Rot. Bonds2

About 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene

5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene (PubChem CID 59412578) has the molecular formula C42H26 and a molecular weight of 530.67 g/mol. Its IUPAC name is 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene.

Molecular Properties

Compound Name5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
PubChem CID59412578
Molecular FormulaC42H26
Molecular Weight530.67 g/mol
Exact Mass530.20
IUPAC Name5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cc5cc6ccccc6cc5c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C42H26/c1-2-12-28-23-31(22-21-27(28)11-1)41-35-17-7-9-19-37(35)42(38-20-10-8-18-36(38)41)40-26-32-24-29-13-3-4-14-30(29)25-39(32)33-15-5-6-16-34(33)40/h1-26H
InChIKeyHPJGDNUCTLBWCM-UHFFFAOYSA-N
XLogP11.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 511.94
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-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
4-(10-benzo[a]anthracen-5-ylanthracen-9-yl)benzo[a]anthracene
CID 59412777
7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412736
4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene
CID 122368009
4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene
CID 159591675
9-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-phenanthren-9-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 159797606
4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 158321046
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene
CID 59412700
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197

Frequently Asked Questions

What is the IUPAC name of 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene?
The IUPAC name of 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene (CID 59412578) is 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene.
What is the SMILES notation for 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene?
The canonical SMILES for 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene is c1ccc2cc(-c3c4ccccc4c(-c4cc5cc6ccccc6cc5c5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene?
The InChIKey is HPJGDNUCTLBWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26/c1-2-12-28-23-31(22-21-27(28)11-1)41-35-17-7-9-19-37(35)42(38-20-10-8-18-36(38)41)40-26-32-24-29-13-3-4-14-30(29)25-39(32)33-15-5-6-16-34(33)40/h1-26H.
What are the key properties of 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene?
5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene has a molecular weight of 530.67 g/mol, XLogP of 11.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene is sourced from PubChem (CID 59412578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).