9-bromo-10-(10-methoxyanthracen-9-yl)anthracene

C29H19BrO — CID 141476648

IUPAC9-bromo-10-(10-methoxyanthracen-9-yl)anthracene
SMILESCOc1c2ccccc2c(-c2c3ccccc3c(Br)c3ccccc23)c2ccccc12
InChIInChI=1S/C29H19BrO/c1-31-29-24-16-8-4-12-20(24)27(21-13-5-9-17-25(21)29)26-18-10-2-6-14-22(18)28(30)23-15-7-3-11-19(23)26/h2-17H,1H3
InChIKeyNWTQNOHOYLDJCH-UHFFFAOYSA-N
MW463.37 g/mol
LogP8.74
Rot. Bonds2

About 9-bromo-10-(10-methoxyanthracen-9-yl)anthracene

9-bromo-10-(10-methoxyanthracen-9-yl)anthracene (PubChem CID 141476648) has the molecular formula C29H19BrO and a molecular weight of 463.37 g/mol. Its IUPAC name is 9-bromo-10-(10-methoxyanthracen-9-yl)anthracene.

Molecular Properties

Compound Name9-bromo-10-(10-methoxyanthracen-9-yl)anthracene
PubChem CID141476648
Molecular FormulaC29H19BrO
Molecular Weight463.37 g/mol
Exact Mass462.06
IUPAC Name9-bromo-10-(10-methoxyanthracen-9-yl)anthracene
SMILESCOc1c2ccccc2c(-c2c3ccccc3c(Br)c3ccccc23)c2ccccc12
InChIInChI=1S/C29H19BrO/c1-31-29-24-16-8-4-12-20(24)27(21-13-5-9-17-25(21)29)26-18-10-2-6-14-22(18)28(30)23-15-7-3-11-19(23)26/h2-17H,1H3
InChIKeyNWTQNOHOYLDJCH-UHFFFAOYSA-N
XLogP8.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.37
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(4-bromophenyl)-10-methoxyanthracene
CID 178067918
(10-bromoanthracen-9-yl)-trimethoxysilane
CID 59243801
(3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol
CID 10518090
9,10-dibromo-2-(4-methoxyphenyl)anthracene
CID 59002235
21-bromohexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(25),2,4,6,8,10,12,14(26),15,17,19,21,23-tridecaene
CID 170265949
2-(3-bromo-1,4-dimethoxynaphthalen-2-yl)acetaldehyde
CID 10380614
ethyl 4-bromo-1,3-dimethoxynaphthalene-2-carboxylate
CID 97034479
1-bromo-4-methoxynaphthalen-2-amine
CID 13160423
1-bromo-2-methoxy-3-methylnaphthalene
CID 23018719
9-bromo-10-(4-methylphenyl)phenanthrene
CID 155481150
1-(10-methoxyanthracen-9-yl)ethanone
CID 176915779
9,10-dibromoanthracene;(10-dimethylboranylanthracen-9-yl)-dimethylborane
CID 158140657

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-(10-methoxyanthracen-9-yl)anthracene?
The IUPAC name of 9-bromo-10-(10-methoxyanthracen-9-yl)anthracene (CID 141476648) is 9-bromo-10-(10-methoxyanthracen-9-yl)anthracene.
What is the SMILES notation for 9-bromo-10-(10-methoxyanthracen-9-yl)anthracene?
The canonical SMILES for 9-bromo-10-(10-methoxyanthracen-9-yl)anthracene is COc1c2ccccc2c(-c2c3ccccc3c(Br)c3ccccc23)c2ccccc12.
What is the InChIKey of 9-bromo-10-(10-methoxyanthracen-9-yl)anthracene?
The InChIKey is NWTQNOHOYLDJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19BrO/c1-31-29-24-16-8-4-12-20(24)27(21-13-5-9-17-25(21)29)26-18-10-2-6-14-22(18)28(30)23-15-7-3-11-19(23)26/h2-17H,1H3.
What are the key properties of 9-bromo-10-(10-methoxyanthracen-9-yl)anthracene?
9-bromo-10-(10-methoxyanthracen-9-yl)anthracene has a molecular weight of 463.37 g/mol, XLogP of 8.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-(10-methoxyanthracen-9-yl)anthracene is sourced from PubChem (CID 141476648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).