7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene

C42H25Br — CID 123375049

IUPAC7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
SMILESBrc1c2ccccc2cc2c1ccc1c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cccc12
InChIInChI=1S/C42H25Br/c43-42-30-13-4-3-12-28(30)25-39-31-18-9-19-33(32(31)22-23-38(39)42)41-36-16-7-5-14-34(36)40(35-15-6-8-17-37(35)41)29-21-20-26-10-1-2-11-27(26)24-29/h1-25H
InChIKeyLSZAALPBRAAPSP-UHFFFAOYSA-N
MW609.57 g/mol
LogP12.70
Rot. Bonds2

About 7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene

7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene (PubChem CID 123375049) has the molecular formula C42H25Br and a molecular weight of 609.57 g/mol. Its IUPAC name is 7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene.

Molecular Properties

Compound Name7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
PubChem CID123375049
Molecular FormulaC42H25Br
Molecular Weight609.57 g/mol
Exact Mass608.11
IUPAC Name7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
SMILESBrc1c2ccccc2cc2c1ccc1c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cccc12
InChIInChI=1S/C42H25Br/c43-42-30-13-4-3-12-28(30)25-39-31-18-9-19-33(32(31)22-23-38(39)42)41-36-16-7-5-14-34(36)40(35-15-6-8-17-37(35)41)29-21-20-26-10-1-2-11-27(26)24-29/h1-25H
InChIKeyLSZAALPBRAAPSP-UHFFFAOYSA-N
XLogP12.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.57
LogP ≤ 512.70
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-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412736
4-(10-bromoanthracen-9-yl)benzo[a]anthracene
CID 86676449
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
7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene
CID 59412748
9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene
CID 59523782
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
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
7-bromo-3-(7-bromobenzo[a]anthracen-5-yl)benzo[a]anthracene
CID 59412865
7-benzo[a]anthracen-4-yl-4-[4-(7-benzo[a]anthracen-4-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412613
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene?
The IUPAC name of 7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene (CID 123375049) is 7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene.
What is the SMILES notation for 7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene?
The canonical SMILES for 7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene is Brc1c2ccccc2cc2c1ccc1c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cccc12.
What is the InChIKey of 7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene?
The InChIKey is LSZAALPBRAAPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25Br/c43-42-30-13-4-3-12-28(30)25-39-31-18-9-19-33(32(31)22-23-38(39)42)41-36-16-7-5-14-34(36)40(35-15-6-8-17-37(35)41)29-21-20-26-10-1-2-11-27(26)24-29/h1-25H.
What are the key properties of 7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene?
7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene has a molecular weight of 609.57 g/mol, XLogP of 12.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene is sourced from PubChem (CID 123375049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).